SCHEMBL4700609

SCHEMBL4700609

CC(C)C[C@H](Nc1cscc1-c1ccc(Br)cc1)C(=O)NCC#N

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 9/20 0.71
CTSL P07711 8/20 0.71
CTSS P25774 8/20 0.71
CTSK P43235 10/20 0.69

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
SCHEMBL4701835 0.91 CTSL (0.71) CTSBCTSLCTSSCTSK
SCHEMBL4699476 0.90 CTSL (0.70) CTSBCTSLCTSSCTSK
SCHEMBL4699917 0.90 CTSL (0.70) CTSBCTSLCTSSCTSK
SCHEMBL4701867 0.89 CTSL (0.72) CTSBCTSLCTSSCTSK
SCHEMBL4702582 0.89 CTSS (0.69) CTSBCTSLCTSSCTSK
SCHEMBL4698710 0.89 CTSL (0.69) CTSBCTSLCTSSCTSK
SCHEMBL4698819 0.89 CTSB (0.69) CTSBCTSLCTSSCTSK
SCHEMBL4703315 0.89 CTSL (0.68) CTSBCTSLCTSSCTSK
SCHEMBL4702345 0.89 CTSL (0.67) CTSBCTSLCTSSCTSK
SCHEMBL4702880 0.88 CTSL (0.68) 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.