SCHEMBL2155595

SCHEMBL2155595

CC(C)C[C@@H](C(N)=O)N(CC#N)[C@@H](c1ccc(-c2ccc(S(=O)(=O)CC(C)(C)O)cc2)cc1)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 11/20 0.39
CTSK P43235 9/20 0.39
CTSS P25774 8/20 0.39
CTSL P07711 7/20 0.39
CTSB P07858 5/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2154987 0.93 CTSS (0.42) LGMNCTSKCTSSCTSLCTSB
SCHEMBL2156867 0.89 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL2156680 0.88 CTSK (0.41) LGMNCTSKCTSSCTSLCTSB
SCHEMBL2155558 0.87 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL2155188 0.85 CTSL (0.45) CTSKCTSSCTSLCTSB
SCHEMBL2156041 0.84 CTSK (0.44) LGMNCTSKCTSSCTSLCTSB
SCHEMBL2155434 0.84 CTSS (0.47) CTSKCTSSCTSLCTSB
SCHEMBL2155529 0.83 CTSL (0.47) CTSKCTSSCTSLCTSB
SCHEMBL2156984 0.82 CTSK (0.42) LGMNCTSKCTSSCTSLCTSB
SCHEMBL2156907 0.82 CTSK (0.52) CTSKCTSSCTSLCTSB

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US claimed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US claimed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US claimed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US claimed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP claimed
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 claimed
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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ LGMN 343/4885CTSK 4/4885CTSS 2/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ LGMN 307/4885CTSK 4/4885CTSS 2/4885
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 LGMN 62/4885CTSK 4/4885CTSS 3/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ LGMN 307/4885CTSK 4/4885CTSS 2/4885
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 LGMN 50/4885CTSK 4/4885CTSS 2/4885

“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.