SCHEMBL4699233

SCHEMBL4699233

Cc1nsc(N[C@@H](CC(C)C)C(=O)NCC#N)c1-c1ccc(C(=O)CN(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.46
CTSL P07711 13/20 0.43
CTSS P25774 11/20 0.43
CTSK P43235 8/20 0.41
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4699479 0.88 CTSB (0.50) CTSBCTSLCTSSCTSK
SCHEMBL4698847 0.87 CTSB (0.55) CTSBCTSLCTSSCTSK
SCHEMBL4701389 0.87 CTSL (0.52) CTSBCTSLCTSSCTSK
SCHEMBL4699025 0.86 CTSL (0.48) CTSBCTSLCTSSCTSK
SCHEMBL4698685 0.85 CTSL (0.47) CTSBCTSLCTSSCTSK
SCHEMBL4699528 0.84 CTSB (0.56) CTSBCTSLCTSSCTSK
SCHEMBL4702801 0.83 CTSB (0.47) CTSBCTSLCTSSCTSK
SCHEMBL4702000 0.83 CTSK (0.55) CTSBCTSLCTSSCTSK
SCHEMBL4699953 0.82 CTSS (0.55) CTSBCTSLCTSSCTSK
SCHEMBL4699423 0.81 CTSL (0.53) CTSBCTSLCTSSCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSB 1/4885CTSL 8/4885CTSS 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.