SCHEMBL22015543

SCHEMBL22015543

CCCc1cc(-c2ccc3c(c2)OC(F)(F)O3)cc(CCC)c1CC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
KIF11 P52732 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
SCHEMBL23668404 0.87 NLRP3 (0.56) NLRP3KIF11
SCHEMBL20698972 0.86 NLRP3 (0.39) NLRP3KIF11
SCHEMBL20698705 0.83
SCHEMBL23692171 0.76
SCHEMBL22014350 0.75 NLRP3 (0.37) NLRP3
SCHEMBL25067068 0.75 NLRP3 (0.39) NLRP3
SCHEMBL25067070 0.75 NLRP3 (0.39) NLRP3
SCHEMBL20698752 0.73 NLRP3 (0.52) NLRP3KIF11
SCHEMBL23668432 0.71 NLRP3 (0.38) NLRP3
SCHEMBL23668380 0.71 NLRP3 (0.40) 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