Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 11/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3184027 | 1.00 | KIF11 (0.51) | KIF11KMT2AKCNN4TSHRLTA4H | |
| Bromide SCHEMBL1200791 | 0.98 | KIF11 (0.50) | KIF11KMT2AKCNN4TSHRLTA4H | |
| Bromide SCHEMBL1200794 | 0.98 | KIF11 (0.50) | KIF11KMT2AKCNN4TSHRLTA4H | |
| SCHEMBL1198906 | 0.85 | KIF11 (0.49) | KIF11KMT2AKCNN4TSHRLTA4H | |
| SCHEMBL1198907 | 0.85 | KIF11 (0.49) | KIF11KMT2AKCNN4TSHRLTA4H | |
| SCHEMBL23657540 | 0.84 | KMT2A (0.50) | KIF11KMT2AKCNN4TSHR | |
| SCHEMBL9537112 | 0.84 | KIF11 (0.53) | KIF11KMT2AKCNN4 | |
| SCHEMBL29050926 | 0.84 | KIF11 (0.53) | KIF11KMT2AKCNN4 | |
| SCHEMBL3196850 | 0.79 | TSHR (0.52) | KIF11KMT2ATSHRLTA4H | |
| SCHEMBL14678649 | 0.79 | MDM4 (0.41) | KIF11KMT2AKCNN4TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-7781487-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-08-24 | — | — | US | disclosed |
| US-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-11-27 | — | — | US | disclosed |
| US-20080214676-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-09-04 | — | — | 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 (3 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-20080214676-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | KIF11 2198/4885KMT2A 3752/4885KCNN4 4650/4885 |
| US-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | KIF11 2198/4885KMT2A 3752/4885KCNN4 4650/4885 |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | KIF11 2198/4885KMT2A 3752/4885KCNN4 4650/4885 |
“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.