Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL172705 | 0.78 | TACR1 (0.46) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL13995917 | 0.78 | TACR1 (0.46) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL12018717 | 0.77 | CA1 (0.47) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL7265738 | 0.77 | CA1 (0.47) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL7265733 | 0.77 | CA1 (0.47) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL13995922 | 0.74 | TACR1 (0.41) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL2483554 | 0.73 | SIGMAR1 (0.59) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL3550104 | 0.73 | SIGMAR1 (0.59) | TACR1CA1TSHRCA2CA7 | |
| SCHEMBL5744228 | 0.73 | SIGMAR1 (0.47) | TACR1TSHRSIGMAR1BCHE | |
| SCHEMBL8327295 | 0.72 | IDO1 (0.40) | TACR1BCHE |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2014-09-11 | — | — | US | disclosed |
| US-8772336-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2014-07-08 | — | — | US | disclosed |
| US-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | AXYS PHARMACEUTICALS, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-8318748-B2 | Cathepsin cysteine protease inhibitors | Merck, Sharp & Dohme Corp. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2011-09-22 | — | — | US | disclosed |
| US-7973037-B2 | Cathepsin cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| CN-100430052-C | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2008-11-05 | — | — | CN | disclosed |
| US-20080188529-A1 | N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2008-08-07 | — | — | US | disclosed |
| EP-1482924-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-05-21 | — | — | EP | disclosed |
| US-7375134-B2 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | AXYS PHARMACEUTICALS, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| EP-1482924-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-08 | — | — | EP | disclosed |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2005-10-27 | — | — | US | disclosed |
| CN-1638757-A | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2005-07-13 | — | — | CN | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| US-20030232863-A1 | Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders | BAYLY CHRISTOPHER I (CA) | 2003-12-18 | — | — | US | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | 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 (6 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-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | CTSB, CTSS, CTSZ | TACR1 287/4885CA1 972/4885TSHR 2897/4885 |
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | TACR1 552/4885CA1 1159/4885TSHR 3675/4885 |
| US-20030232863-A1 | Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders | CTSE, CTSB, CTSS | TACR1 2251/4885CA1 1360/4885TSHR 3673/4885 |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | TACR1 552/4885CA1 1159/4885TSHR 3675/4885 |
| US-20080188529-A1 | N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders | CTSE, CTSL, CTSK | TACR1 2702/4885CA1 366/4885TSHR 3760/4885 |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | CTSE, CTSS, CTSB | TACR1 2683/4885CA1 1299/4885TSHR 3976/4885 |
“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.