SCHEMBL6694050

SCHEMBL6694050

CN(C#N)C(=O)[C@H](CC1CCCCC1)OC(=O)N1CCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.49
CTSL P07711 7/20 0.49
CTSB P07858 7/20 0.49
CTSH P09668 5/20 0.45
CTSS P25774 3/20 0.38
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35

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
SCHEMBL6696441 0.97 CTSK (0.46) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6653241 0.97 CTSK (0.46) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6062499 0.91 CTSS (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6632644 0.91 CTSS (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6062906 0.90 HSD11B1 (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6063838 0.79 CTSS (0.44) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6694046 0.79 CTSK (0.53) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6688702 0.79 CTSK (0.53) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6061604 0.79 CTSK (0.50) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6061600 0.79 CTSK (0.50) CTSKCTSLCTSBCTSHCTSS

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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSL 11/4885CTSB 2/4885

“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.