SCHEMBL8290944

SCHEMBL8290944

COP(C)(=O)C(C(=O)N/C=C/c1ccccc1F)c1csc2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.62
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
CTSG P08311 1/20 0.44
PRSS3 P35030 1/20 0.44
ANO1 Q5XXA6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8290020 0.91 CMA1 (0.64) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999891 0.90 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999889 0.90 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12314992 0.87 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12315027 0.84 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3650587 0.83 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3650590 0.83 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4136294 0.83 CMA1 (0.73) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4136305 0.83 CMA1 (0.73) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3657627 0.82 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO disclosed