SCHEMBL4701601

SCHEMBL4701601

CC(C)CC(Oc1cccc(Br)c1)C(=O)NCC#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.47

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
SCHEMBL4698729 0.85 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL4700291 0.82 HSD17B10 (0.52) CTSK
SCHEMBL5519233 0.81 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL5519228 0.81 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL4702186 0.80 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL4699081 0.79 KDM4E (0.50) CTSK
SCHEMBL4701719 0.74 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL5516815 0.74 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL5518361 0.74 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL5508656 0.74 CTSK (0.58) 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 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 disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSS 2/4885CTSL 8/4885

“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.