SCHEMBL4823877

SCHEMBL4823877

CC(C)C[C@H](NC1(C#N)CC1)C(=O)N[C@@H](c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.47
CTSK P43235 15/20 0.47
CTSS P25774 12/20 0.47
CTSB P07858 5/20 0.46

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
SCHEMBL2157179 0.87 CTSL (0.58) CTSLCTSKCTSSCTSB
SCHEMBL4672347 0.85 CTSK (0.52) CTSLCTSKCTSSCTSB
SCHEMBL6363617 0.85 CTSK (0.42) CTSLCTSKCTSSCTSB
SCHEMBL14673888 0.80 CTSL (0.58) CTSLCTSKCTSSCTSB
SCHEMBL2156209 0.79 CTSK (0.69) CTSLCTSKCTSSCTSB
SCHEMBL2156533 0.78 CTSK (0.67) CTSLCTSKCTSSCTSB
SCHEMBL2157181 0.72 CTSK (0.38) CTSLCTSKCTSSCTSB
SCHEMBL2156687 0.71 CTSK (0.85) CTSLCTSKCTSSCTSB
SCHEMBL7032922 0.71 CTSL (0.43) CTSLCTSKCTSSCTSB
SCHEMBL6363614 0.71 CTSL (0.54) CTSLCTSKCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 7/4885CTSK 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.