SCHEMBL6740833

SCHEMBL6740833

CC(=O)c1cccc(C(=O)NCC(C(=O)NCC#N)S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.46
CTSL P07711 13/20 0.46
CTSK P43235 8/20 0.46
CTSB P07858 10/20 0.46
CTSV O60911 4/20 0.45
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6061910 0.90 CTSL (0.56) CTSSCTSLCTSKCTSBCTSV
SCHEMBL7664717 0.89 CTSL (0.50) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6737611 0.87 CTSL (0.53) CTSLGAAKMT2A
SCHEMBL6741394 0.87 HDAC8 (0.46) CTSSCTSLCTSKCTSBCTSV
SCHEMBL7654250 0.85 CTSL (0.52) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6739753 0.85 CTSB (0.62) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6742248 0.85 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL6744442 0.84 CTSL (0.50) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6737511 0.84 CTSL (0.62) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6737517 0.83 CTSL (0.49) CTSSCTSLCTSKCTSBCTSV

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 CTSS 1/4885CTSL 10/4885CTSK 9/4885

“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.