SCHEMBL4699953

SCHEMBL4699953

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.55
CTSK P43235 11/20 0.55
CTSB P07858 10/20 0.55
CTSL P07711 10/20 0.55
CA2 P00918 2/20 0.41
CA1 P00915 1/20 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
SCHEMBL4702000 0.92 CTSK (0.55) CTSSCTSKCTSBCTSL
SCHEMBL4698847 0.88 CTSB (0.55) CTSSCTSKCTSBCTSL
SCHEMBL4701389 0.88 CTSL (0.52) CTSSCTSKCTSBCTSL
SCHEMBL4699204 0.88 CTSK (0.45) CTSSCTSKCTSBCTSL
SCHEMBL4699025 0.88 CTSL (0.48) CTSSCTSKCTSBCTSL
SCHEMBL4702801 0.87 CTSB (0.47) CTSSCTSKCTSBCTSL
SCHEMBL4698685 0.87 CTSL (0.47) CTSSCTSKCTSBCTSL
SCHEMBL4699479 0.86 CTSB (0.50) CTSSCTSKCTSBCTSL
SCHEMBL4699528 0.86 CTSB (0.56) CTSSCTSKCTSBCTSL
SCHEMBL4699683 0.84 CTSL (0.51) CTSSCTSKCTSBCTSL

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 9 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
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP claimed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO 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 CTSS 2/4885CTSK 4/4885CTSB 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.