SCHEMBL6742702

SCHEMBL6742702

CCC1CN(C(=O)NC(CS(=O)(=O)Cc2ccccc2)C(=O)NCC#N)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.43
CTSB P07858 10/20 0.43
CTSL P07711 7/20 0.43
CTSK P43235 5/20 0.39
CCKBR P32239 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7659537 0.81 CYP2C19 (0.51) CTSSCTSBCTSLCTSKL3MBTL1
SCHEMBL6744248 0.78 ALDH1A1 (0.54) CTSSCTSBCTSL
SCHEMBL6742147 0.78 CTSS (0.51) CTSSCTSBCTSLCTSK
SCHEMBL6742158 0.75 CTSS (0.68) CTSSCTSBCTSLCTSK
SCHEMBL6061195 0.75 CTSS (0.68) CTSSCTSBCTSLCTSK
SCHEMBL6738423 0.73 CTSS (0.77) CTSSCTSBCTSLCTSK
SCHEMBL6738426 0.73 CTSS (0.77) CTSSCTSBCTSLCTSK
SCHEMBL7656346 0.70 CTSB (0.71) CTSSCTSBCTSLCTSKL3MBTL1
SCHEMBL3615920 0.70 CTSS (0.53) CTSSCTSBCTSLCTSK
SCHEMBL6741961 0.70 CTSB (0.67) CTSSCTSBCTSLCTSK

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 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 CTSS 1/4885CTSB 2/4885CTSL 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.