SCHEMBL6744072

SCHEMBL6744072

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.52
CTSB P07858 7/20 0.52
CTSS P25774 7/20 0.52
CTSK P43235 5/20 0.52
CTSF Q9UBX1 1/20 0.52
HPGDS O60760 3/20 0.44
ALDH1A1 P00352 1/20 0.43
GPR132 Q9UNW8 1/20 0.40
CTSV O60911 2/20 0.40
CCKBR P32239 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 0.91 CTSL (0.62) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7551659 0.89 CTSL (0.51) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6741441 0.87 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6737785 0.85 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062078 0.85 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6742310 0.85 CTSL (0.58) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6744075 0.84 CTSL (0.64) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6744067 0.84 CTSL (0.64) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7548636 0.83 CTSB (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062317 0.83 CTSB (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.