SCHEMBL6683529

SCHEMBL6683529

CCN(CC)C(=O)OC(CC1CCCCC1)C(=O)NCC#N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.53
CTSS P25774 4/20 0.52
CTSL P07711 10/20 0.48
CTSB P07858 9/20 0.48
CTSH P09668 5/20 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
SCHEMBL6683526 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6061600 0.80 CTSK (0.50) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6061604 0.80 CTSK (0.50) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6632607 0.79 CTSK (0.57) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6695648 0.79 CTSK (0.62) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6632603 0.79 CTSK (0.57) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6695644 0.79 CTSK (0.62) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6695108 0.79 CTSK (0.57) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6695102 0.79 CTSK (0.57) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6696437 0.78 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH

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 4 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
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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 8/4885CTSS 1/4885CTSL 11/4885

“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.