Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 13/20 | 0.46 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1199894 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL12417783 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL646731 | 0.91 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL27611196 | 0.88 | CTSK (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3604134 | 0.88 | CTSK (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL29155412 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL17343500 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3415571 | 0.86 | CTSK (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL17277925 | 0.86 | CTSK (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL1951980 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 9 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-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 |
| EP-2262370-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2010-12-22 | — | — | EP | 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 (4 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 | CYP1A2 2906/4885CYP2C9 2134/4885CYP2C19 1665/4885 |
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CYP1A2 2906/4885CYP2C9 2134/4885CYP2C19 1665/4885 |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CYP1A2 2906/4885CYP2C9 2134/4885CYP2C19 1665/4885 |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CYP1A2 2906/4885CYP2C9 2134/4885CYP2C19 1665/4885 |
“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.