Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 7/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSB | P07858 | 4/20 | 0.38 |
| ▸ | LIPC | P11150 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | GRN | P28799 | 1/20 | 0.37 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.35 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13584817 | 0.89 | CTSS (0.46) | CTSLCTSSCTSKCTSB | |
| SCHEMBL12876985 | 0.89 | CTSS (0.46) | CTSLCTSSCTSKCTSB | |
| SCHEMBL13584819 | 0.89 | CTSS (0.46) | CTSLCTSSCTSKCTSB | |
| SCHEMBL14317319 | 0.89 | ACE (0.39) | CTSLCTSSCTSKCTSBGRN | |
| SCHEMBL8006630 | 0.89 | CTSL (0.46) | CTSLCTSSCTSKCTSBGRN | |
| SCHEMBL1200512 | 0.89 | CTSL (0.46) | CTSLCTSSCTSKCTSBGRN | |
| SCHEMBL1200513 | 0.89 | CTSL (0.46) | CTSLCTSSCTSKCTSBGRN | |
| SCHEMBL12417867 | 0.87 | TEAD1 (0.44) | PDE2ALIPCLIPGTEAD1 | |
| SCHEMBL8002515 | 0.85 | CTSL (0.48) | CTSLCTSSCTSKCTSBGRN | |
| SCHEMBL7993310 | 0.84 | CTSL (0.41) | CTSLCTSSCTSKCTSBGRN |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8748649-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-01-16 | — | — | US | disclosed |
| US-8367732-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20120329837-A1 | CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM | VIROBAY, INC. (US) | 2012-12-27 | — | — | US | disclosed |
| WO-2012174552-A2 | CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM | VIROBAY, INC. (US) | 2012-12-20 | — | — | WO | disclosed |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-7893112-B2 | N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors | VIROBAY, INC. (US) | 2011-02-22 | — | — | US | disclosed |
| WO-2009123623-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| US-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-11-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | PDE2A 4299/4885CTSL 10/4885CTSS 3/4885 |
| US-20120329837-A1 | CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM | CTSS, CTSB, CTSG | PDE2A 1543/4885CTSL 12/4885CTSS 1/4885 |
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | PDE2A 4299/4885CTSL 10/4885CTSS 3/4885 |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | PDE2A 4299/4885CTSL 10/4885CTSS 3/4885 |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | PDE2A 4299/4885CTSL 10/4885CTSS 3/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.