12 programs. 9 targets. 8 patents. 2 clinical studies.
A validated pipeline of small-molecule programs discovered with MetaScreener and our in-house HPC infrastructure — covering oncology, metabolism, inflammation and drug-resistance indications.
About MetaScreener
The engine behind the pipeline — an in-house suite for virtual screening on supercomputers.
MetaScreener (MS) is a multi-language suite (Shell, Python, Java, C) that orchestrates large-scale computational drug-discovery campaigns on HPC infrastructures.
It integrates multiple methods, dispatches jobs through parallel task scheduling, and automatically post-processes results into ranked tables, graphs and PyMOL sessions:
- Molecular docking
- Pharmacophore screening
- Molecular modelling
- Consensus aggregation across methods
Open source: github.com/bio-hpc/metascreener
MetaScreener workflow
Pipeline 2025
Selected programs discovered with MetaScreener — activity, development stage and IP status. Selected highlights; many additional success stories not listed here.
| Target | Compound type / MoA | Activity | In silico | In vitro | In vivo | Clinical | IP status |
|---|---|---|---|---|---|---|---|
| Fascin | FDA · Imipramine | 20 µM | ✓ | ✓ | ✓ | Started Murcia 2022 | Patent licensed 2023 open to new licensing |
| Fascin | FDA · Raltegravir | 20 µM | ✓ | ✓ | ✓ | Requested | Patent granted |
| Fascin | Novel Chemical Entity | 20 µM | ✓ | ✓ | In progress | Requested | Patent filed |
| Hepsin | FDA · Venetoclax | 1 µM | ✓ | ✓ | — | Requested | Patent granted |
| Hepsin | FDA · Suramin | 1 µM | ✓ | ✓ | — | Requested | Patent granted |
| PAD4 | FDA · Gilteritinib | 1 µM | ✓ | ✓ | In progress | Requested | Patent filed |
| Wee1 | Novel Chemical Entity | 20 nM | ✓ | ✓ | — | — | — |
| p38α | Novel Chemical Entity | 26 nM | ✓ | ✓ | — | — | — |
| DDR1 | Novel Chemical Entity | 3 nM | ✓ | ✓ | — | — | — |
| human sEH | Novel Chemical Entity | 100 nM | ✓ | ✓ | In progress | — | In patent-filing process |
| ABCC3 | Novel Chemical Entity | 1 µM | ✓ | ✓ | — | — | — |
| Pancreatic lipase | Natural · Silibinin | Similar to orlistat | ✓ | ✓ | — | Started Murcia 2023 | Patent granted |
Selected case studies
Three representative programs from the pipeline — from repurposing wins to nanomolar novel chemical entities.
Fascin inhibitors — colorectal cancer metastasis
Structure-based discovery of the FDA-approved antidepressant imipramine and the antiviral raltegravir as potent Fascin1 inhibitors that block invasion of colorectal tumour cells in vitro and in vivo. Patent licensed; clinical study started in Murcia (2022).
DOI 10.3390/cancers13040861 →Silibinin — pancreatic lipase inhibitor
Identification of the thistle-milk component silibinin as a potent inhibitor of pancreatic lipase (profile similar to orlistat), with potential implications on weight loss. Patent filed; clinical study started in Murcia (2023).
DOI 10.1016/j.jff.2021.104479 →Hepsin · PAD4 · Wee1 · DDR1 · p38α · sEH · ABCC3
Multiple programs delivering novel chemical entities with activities as low as 3 nM (DDR1) and 20 nM (Wee1). Six patents filed or in preparation, covering indications in oncology, immunology, inflammation, metabolism and drug-resistance mechanisms.
Partner with us
We are actively seeking biotech and pharmaceutical partners across three tracks:
Licensing
Patents available for licensing or sub-licensing across multiple targets and indications.
Co-development
Joint pre-clinical and clinical development of novel chemical entities with nanomolar activities.
Clinical-trial investment
Investment opportunities for ongoing clinical studies in colorectal cancer and weight-loss.
Contact: Prof. Horacio Pérez-Sánchez · hperez@ucam.edu