SCHEMBL6741441

SCHEMBL6741441

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.58
CTSB P07858 10/20 0.58
CTSS P25774 9/20 0.58
CTSK P43235 6/20 0.58
CTSF Q9UBX1 1/20 0.58
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CTSV O60911 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6061905 0.96 CTSL (0.62) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062078 0.92 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6737785 0.90 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6742310 0.90 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6744072 0.87 CTSL (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062629 0.87 CTSL (0.55) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062317 0.86 CTSB (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7548636 0.86 CTSB (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7551659 0.85 CTSL (0.51) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063169 0.85 CTSL (0.52) CTSLCTSBCTSSCTSKCTSF

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 CTSL 10/4885CTSB 2/4885CTSS 1/4885

“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.