SCHEMBL8291327

SCHEMBL8291327

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(C(=O)N/C=C/c1ccc(S)c(F)c1)c1csc2ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.60
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
CTSG P08311 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL3391289 0.94 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3391294 0.94 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999741 0.92 CMA1 (0.61) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999745 0.92 CMA1 (0.61) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999628 0.89 CMA1 (0.64) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999625 0.89 CMA1 (0.64) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL7908643 0.88 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3774316 0.88 CMA1 (0.68) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3774304 0.88 CMA1 (0.68) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998173 0.88 CMA1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO disclosed