SCHEMBL8290993

SCHEMBL8290993

CC(=O)C(c1csc2ccc(Cl)cc12)P(C)(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.62
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
CTSG P08311 1/20 0.53
PRSS3 P35030 1/20 0.53
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CYP2A6 P11509 2/20 0.45
MAPT P10636 1/20 0.42

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
SCHEMBL12315022 0.93 CMA1 (0.57) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12315021 0.85 CMA1 (0.59) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12314981 0.85 CMA1 (0.57) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12314971 0.84 CMA1 (0.56) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12314973 0.83 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL10331333 0.80 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1083297 0.78 CMA1 (0.89) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1083299 0.78 CMA1 (0.89) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1083298 0.78 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1001215 0.78 CMA1 (1.00) 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