SCHEMBL22014913

SCHEMBL22014913

CC(C)c1cc(F)cc(C(C)C)c1CC(=S)N=[S@@](N)(=O)c1ncc(C(C)(C)O)s1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.36

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
SCHEMBL20699082 0.89 NLRP3 (0.38) NLRP3
SCHEMBL20698832 0.89 NLRP3 (0.38) NLRP3
SCHEMBL20698795 0.89 NLRP3 (0.38) NLRP3
SCHEMBL25066887 0.81 NLRP3 (0.38) NLRP3
SCHEMBL20699081 0.80 NLRP3 (0.35) NLRP3
SCHEMBL20692042 0.80 NLRP3 (0.31) NLRP3
SCHEMBL21893707 0.80 NLRP3 (0.31) NLRP3
SCHEMBL26007194 0.80 NLRP3 (0.31) NLRP3
SCHEMBL20698939 0.79 NLRP3 (0.38) NLRP3
SCHEMBL22014440 0.78 NLRP3 (0.30) 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