Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KYNU | Q16719 | 1/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.56 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.56 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 6/20 | 0.53 |
| ▸ | CTSL | P07711 | 5/20 | 0.53 |
| ▸ | CTSK | P43235 | 6/20 | 0.52 |
| ▸ | CTSB | P07858 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2155610 | 1.00 | KYNU (0.58) | KYNUSIRT2SIRT1SIRT3ALDH1A1 | |
| SCHEMBL15664900 | 0.95 | SIRT2 (0.60) | KYNUSIRT2SIRT1SIRT3ALDH1A1 | |
| SCHEMBL15664902 | 0.95 | SIRT2 (0.60) | KYNUSIRT2SIRT1SIRT3ALDH1A1 | |
| SCHEMBL15665178 | 0.91 | KYNU (0.55) | KYNUSIRT2SIRT1SIRT3ALDH1A1 | |
| SCHEMBL15665180 | 0.91 | KYNU (0.55) | KYNUSIRT2SIRT1SIRT3ALDH1A1 | |
| SCHEMBL18762616 | 0.89 | SIRT2 (0.54) | SIRT2SIRT1CTSSCTSLCTSK | |
| SCHEMBL6559767 | 0.89 | SIRT2 (0.54) | SIRT2SIRT1CTSSCTSLCTSK | |
| SCHEMBL6559771 | 0.89 | SIRT2 (0.54) | SIRT2SIRT1CTSSCTSLCTSK | |
| SCHEMBL21488175 | 0.89 | KYNU (0.53) | KYNUSIRT2SIRT1SIRT3ALDH1A1 | |
| SCHEMBL21488178 | 0.89 | KYNU (0.53) | KYNUSIRT2SIRT1SIRT3ALDH1A1 |
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 14 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 |
| 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 |
| 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 | KYNU 2312/4885SIRT2 984/4885SIRT1 1226/4885 |
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | KYNU 1990/4885SIRT2 1119/4885SIRT1 1327/4885 |
| 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 | KYNU 236/4885SIRT2 1373/4885SIRT1 1522/4885 |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | KYNU 1990/4885SIRT2 1119/4885SIRT1 1327/4885 |
| 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 | KYNU 286/4885SIRT2 1531/4885SIRT1 2128/4885 |
| 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 | KYNU 260/4885SIRT2 1558/4885SIRT1 1804/4885 |
“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.