SCHEMBL22014350

SCHEMBL22014350

CCCc1cc(-c2ccc3c(c2)OC(F)(F)O3)cc(CCC)c1CC(=O)/N=[SH](=O)\c1ncc(C(C)(C)O)s1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL20698972 0.81 NLRP3 (0.39) NLRP3
SCHEMBL22015543 0.75 NLRP3 (0.42) NLRP3
SCHEMBL25139225 0.69 NLRP3 (0.50) NLRP3
SCHEMBL25066939 0.68 NLRP3 (0.36) NLRP3
SCHEMBL20698752 0.68 NLRP3 (0.52) NLRP3
SCHEMBL25139057 0.67 NLRP3 (0.32) NLRP3
SCHEMBL23692337 0.65 MLYCD (0.33) NLRP3
SCHEMBL23692178 0.64
SCHEMBL25066950 0.62 NLRP3 (0.47) NLRP3
SCHEMBL23668404 0.61 NLRP3 (0.56) NLRP3

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed