Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | CASP1 | P29466 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 3/20 | 0.49 |
| ▸ | KYNU | Q16719 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10966776 | 0.85 | CTRB1 (0.61) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL6958944 | 0.84 | ATM (0.54) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL16201457 | 0.84 | ATM (0.54) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL6841182 | 0.84 | ATM (0.56) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL8972716 | 0.84 | ATM (0.56) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL7527895 | 0.84 | SYK (0.55) | CTRB1ATMALDH1A1TRPM8CTSK | |
| SCHEMBL14417661 | 0.83 | CTRB1 (0.56) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL2617387 | 0.83 | CTRB1 (0.56) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL6201683 | 0.83 | TRPM8 (0.53) | CTRB1ATMCASP1ALDH1A1TRPM8 | |
| SCHEMBL3012475 | 0.83 | CASP1 (0.56) | ATMCASP1ALDH1A1ALOX15CTSK |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102014635-B | Difluoro-containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2015-12-16 | — | — | CN | disclosed |
| 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 |
| 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 | CTRB1 22/4885ATM 4398/4885CASP1 260/4885 |
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CTRB1 22/4885ATM 4398/4885CASP1 260/4885 |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CTRB1 22/4885ATM 4398/4885CASP1 260/4885 |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CTRB1 22/4885ATM 4398/4885CASP1 260/4885 |
“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.