SCHEMBL4954802

SCHEMBL4954802

Cc1nc(-c2ccc([C@H](NC(=O)[C@H](CC(C)C)NC3(C#N)CC3)C(F)(F)F)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.54
CTSK P43235 10/20 0.52
CTSS P25774 8/20 0.50
CTSB P07858 7/20 0.50

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
SCHEMBL2156197 0.87 CTSL (0.71) CTSLCTSKCTSSCTSB
SCHEMBL4955135 0.86 CTSL (0.56) CTSLCTSKCTSSCTSB
SCHEMBL2155284 0.86 CTSL (0.54) CTSLCTSKCTSSCTSB
SCHEMBL14673619 0.84 CTSL (0.74) CTSLCTSKCTSSCTSB
SCHEMBL4952733 0.83 CTSK (0.65) CTSLCTSKCTSSCTSB
SCHEMBL2157089 0.82 CTSL (0.58) CTSLCTSKCTSSCTSB
SCHEMBL14673131 0.82 CTSL (0.62) CTSLCTSKCTSSCTSB
SCHEMBL2156135 0.81 CTSL (0.57) CTSLCTSKCTSSCTSB
SCHEMBL14673469 0.80 CTSL (0.59) CTSLCTSKCTSSCTSB
SCHEMBL14673156 0.80 CTSL (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CTSL 2/4885CTSK 3/4885CTSS 6/4885

“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.