SCHEMBL6696437

SCHEMBL6696437

N#CCNC(=O)[C@H](CC1CCCCC1)OC(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.53
CTSS P25774 7/20 0.52
CTSL P07711 10/20 0.48
CTSB P07858 9/20 0.48
CTSH P09668 5/20 0.41

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
SCHEMBL6684259 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6653239 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6653244 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6694046 0.98 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6688702 0.98 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6062505 0.91 CTSS (0.52) CTSKCTSSCTSLCTSB
SCHEMBL6062496 0.91 CTSS (0.52) CTSKCTSSCTSLCTSB
SCHEMBL6062910 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6062905 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCTSH
SCHEMBL6063841 0.80 CTSS (0.48) CTSKCTSSCTSLCTSB

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 8/4885CTSS 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.