SCHEMBL6737448

SCHEMBL6737448

Cc1ccccc1CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 13/20 0.71
CTSS P25774 12/20 0.71
CTSL P07711 11/20 0.71
CTSK P43235 5/20 0.58
CTSV O60911 1/20 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
SCHEMBL6737446 1.00 CTSB (0.71) CTSBCTSSCTSLCTSKCTSV
SCHEMBL4714816 0.91 CTSL (0.64) CTSBCTSSCTSLCTSKCTSV
SCHEMBL7666944 0.91 CTSL (0.64) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6740028 0.88 CTSB (0.69) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6740626 0.88 CTSL (0.69) CTSBCTSSCTSLCTSK
SCHEMBL6740630 0.88 CTSL (0.69) CTSBCTSSCTSLCTSK
SCHEMBL6740030 0.88 CTSB (0.69) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6741593 0.88 CTSB (0.69) CTSBCTSSCTSLCTSKCTSV
SCHEMBL6740728 0.88 CTSS (0.69) CTSBCTSSCTSLCTSK
SCHEMBL6741596 0.88 CTSB (0.69) CTSBCTSSCTSLCTSKCTSV

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSB 2/4885CTSS 1/4885CTSL 10/4885

“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.