SCHEMBL22019909

SCHEMBL22019909

CC(C)(O)c1ncc(/[SH](=O)=N/C(=O)Nc2c3c(nc(CC(F)(F)F)c2C2CC2)CCC3)s1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.35
USP2 O75604 1/20 0.31
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30

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
SCHEMBL24978475 0.91 NLRP3 (0.33) NLRP3USP2
SCHEMBL22020382 0.88 NLRP3 (0.46) NLRP3USP2FABP4FABP5
SCHEMBL22021253 0.87 NLRP3 (0.34) NLRP3USP2FABP4FABP5
SCHEMBL24978235 0.83 NLRP3 (0.47) NLRP3USP2
SCHEMBL24978272 0.83 NLRP3 (0.47) NLRP3USP2
SCHEMBL24978023 0.82 NLRP3 (0.37) NLRP3USP2
SCHEMBL22021100 0.80 USP2 (0.34) NLRP3USP2
SCHEMBL23481702 0.77
SCHEMBL22021427 0.75 NLRP3 (0.34) NLRP3USP2
SCHEMBL22012175 0.75

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-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed