SCHEMBL4704401

SCHEMBL4704401

CC(C)C[C@H](N)C(=O)N(CC#N)c1sncc1Br

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
DPP4 P27487 2/20 0.33
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL6208762 1.00 CTSL (0.34) CTSLCTSBCTSSDPP4AAK1
SCHEMBL4704247 0.79 DPP4 (0.33) DPP4
SCHEMBL6208510 0.78 CTSB (0.39) CTSLCTSBCTSSDPP4AAK1
SCHEMBL4701834 0.78 CTSB (0.39) CTSLCTSBCTSSDPP4AAK1
SCHEMBL6208765 0.77 CTSL (0.36) CTSLCTSBCTSS
SCHEMBL4701624 0.76 CTSL (0.42) CTSLCTSBCTSSDPP4
SCHEMBL4701582 0.74 CTSL (0.33) CTSLCTSBCTSSDPP4
SCHEMBL4699954 0.71 CTSL (0.37) CTSLCTSBCTSS
SCHEMBL4698852 0.71 CTSK (0.39) CTSLCTSBCTSS
SCHEMBL4700965 0.70 BRD4 (0.36) CTSBAAK1

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 CTSL 8/4885CTSB 1/4885CTSS 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.