SCHEMBL2155553

SCHEMBL2155553

CC(C)(F)C[C@H](N)C(=O)N([C@@H](c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)C(F)(F)F)C1(C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.43
CTSB P07858 10/20 0.43
CTSL P07711 8/20 0.43
CTSF Q9UBX1 6/20 0.43
CTSS P25774 5/20 0.43
CTSV O60911 1/20 0.43
KIF11 P52732 1/20 0.34

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
SCHEMBL14874955 0.93 CTSB (0.51) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2156690 0.89 CTSK (0.48) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2155330 0.89 CTSK (0.40) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2155366 0.89 CTSK (0.45) CTSKCTSBCTSLCTSFCTSS
SCHEMBL11898023 0.88 CTSK (0.41) CTSKCTSBCTSLCTSFCTSS
SCHEMBL2157352 0.87 CTSK (0.40) CTSKCTSBCTSLCTSFCTSS
SCHEMBL3676440 0.86 CTSK (0.52) CTSKCTSBCTSLCTSFCTSS
SCHEMBL3685855 0.86 CTSK (0.52) CTSKCTSBCTSLCTSFCTSS
SCHEMBL5528835 0.86 CTSK (0.43) CTSKCTSBCTSLCTSFCTSS
SCHEMBL3672970 0.86 CTSK (0.52) CTSKCTSBCTSLCTSFCTSS

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250759-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME CORP. (US) 2015-09-10 US claimed
EP-2783687-A1 Composition for inhibition of cathepsin K Merck Sharp & Dohme Corp. (US) 2014-10-01 EP claimed
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-20140186471-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME (US) 2014-07-03 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
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US claimed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US claimed
US-20080255072-A1 Oral unit dose for inhibiting bone resorption; reduced frequency regime; N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; blister pack card orienting the dosages in the order of their intended use MERCK SHARP & DOHME LLC 2008-10-16 US claimed
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 claimed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP claimed
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 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-20150250759-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME CORP. (US) 2015-09-10 US disclosed
EP-2783687-A1 Composition for inhibition of cathepsin K Merck Sharp & Dohme Corp. (US) 2014-10-01 EP disclosed
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US 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 (9 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 CTSK 4/4885CTSB 1/4885CTSL 8/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885CTSB 1/4885CTSL 8/4885
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 CTSK 4/4885CTSB 2/4885CTSL 7/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885CTSB 1/4885CTSL 8/4885
US-20140186471-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K CTSK, CTSB, CTSZ CTSK 1/4885CTSB 2/4885CTSL 12/4885
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 CTSK 3/4885CTSB 4/4885CTSL 2/4885
US-20080255072-A1 Oral unit dose for inhibiting bone resorption; reduced frequency regime; N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; blister pack card orienting the dosages in the order of their intended use CTSK, CTSB, CTSE CTSK 1/4885CTSB 2/4885CTSL 7/4885
US-20150250759-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K CTSK, CTSB, CTSZ CTSK 1/4885CTSB 2/4885CTSL 12/4885
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 CTSK 4/4885CTSB 3/4885CTSL 7/4885

“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.