SCHEMBL6364135

SCHEMBL6364135

CC(=O)Nc1ccc(-c2ccccc2[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.65
CTSS P25774 18/20 0.65
CTSK P43235 17/20 0.65
CTSB P07858 14/20 0.65

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
SCHEMBL2156323 0.87 CTSL (0.79) CTSLCTSSCTSKCTSB
SCHEMBL6364256 0.82 CTSL (0.77) CTSLCTSSCTSKCTSB
SCHEMBL4677118 0.81 CTSL (0.66) CTSLCTSSCTSKCTSB
SCHEMBL2157281 0.79 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL6364532 0.78 CTSL (0.81) CTSLCTSSCTSKCTSB
SCHEMBL2156540 0.77 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL2156626 0.77 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL2157417 0.76 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL2155543 0.76 CTSL (0.76) CTSLCTSSCTSKCTSB
SCHEMBL2155836 0.76 CTSL (1.00) CTSLCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 CTSL 7/4885CTSS 2/4885CTSK 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.