SCHEMBL6092629

SCHEMBL6092629

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.60
CTSS P25774 18/20 0.60
CTSK P43235 17/20 0.60
CTSB P07858 14/20 0.57

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
SCHEMBL14673225 0.90 CTSL (0.74) CTSLCTSSCTSKCTSB
SCHEMBL14673490 0.89 CTSL (0.72) CTSLCTSSCTSKCTSB
SCHEMBL2155014 0.88 CTSK (0.71) CTSLCTSSCTSKCTSB
SCHEMBL2155081 0.84 CTSL (0.82) CTSLCTSSCTSKCTSB
SCHEMBL5672359 0.84 CTSL (0.82) CTSLCTSSCTSKCTSB
SCHEMBL14673635 0.82 CTSL (0.58) CTSLCTSSCTSKCTSB
SCHEMBL2157327 0.81 CTSL (0.85) CTSLCTSSCTSKCTSB
SCHEMBL2156488 0.81 CTSL (0.55) CTSLCTSSCTSKCTSB
SCHEMBL2156497 0.79 CTSK (0.70) CTSLCTSSCTSKCTSB
SCHEMBL2155733 0.79 CTSL (0.54) 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-20060287402-A1 Cathepsin inhibitors MERCK FROSST CANADA & CO. (CA) 2006-12-21 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-20060287402-A1 Cathepsin inhibitors CTSB, CTSK, CTSS CTSL 8/4885CTSS 3/4885CTSK 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.