SCHEMBL2155759

SCHEMBL2155759

CC(C)C[C@@H](C(N)=O)N(CC#N)C(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.47
CTSL P07711 9/20 0.47
CTSB P07858 7/20 0.47
CTSS P25774 7/20 0.47
ALOX5 P09917 1/20 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
SCHEMBL4954962 0.92 CTSK (0.41) CTSKCTSLCTSBCTSSALOX5
SCHEMBL2156492 0.91 CTSK (0.48) CTSKCTSLCTSBCTSSALOX5
SCHEMBL2155441 0.89 CTSL (0.44) CTSKCTSLCTSBCTSS
SCHEMBL15855772 0.89 CTSL (0.44) CTSKCTSLCTSBCTSS
SCHEMBL2155832 0.89 CTSL (0.46) CTSKCTSLCTSBCTSS
SCHEMBL5744221 0.87 CTSK (0.39) CTSKCTSLCTSBCTSS
SCHEMBL2157013 0.87 CTSL (0.48) CTSKCTSLCTSBCTSS
SCHEMBL2155905 0.87 CTSL (0.41) CTSKCTSLCTSBCTSS
SCHEMBL2155593 0.87 CTSL (0.37) CTSKCTSLCTSBCTSS
SCHEMBL2156379 0.87 CTSL (0.37) CTSKCTSLCTSBCTSS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 EP disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 EP 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 (1 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-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 3/4885CTSL 2/4885CTSB 4/4885

“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.