SCHEMBL22014848

SCHEMBL22014848

CC(C)c1c(F)c(C#N)cc(C2[C@@H](C)[C@H]2C)c1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
GCGR P47871 1/20 0.32
AKR1B1 P15121 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL20699031 0.86 NLRP3 (0.34) NLRP3AKR1B1PTGDR2
SCHEMBL30791038 0.85 NLRP3 (0.35) NLRP3AKR1B1RXRARXRBRXRG
SCHEMBL20681231 0.85 NLRP3 (0.35) NLRP3AKR1B1RXRARXRBRXRG
SCHEMBL20699030 0.84 NLRP3 (0.36) NLRP3GCGR
SCHEMBL29687458 0.81 NLRP3 (0.48) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL20681566 0.81 NLRP3 (0.48) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL23319794 0.78 NLRP3 (0.36) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL25139065 0.77 NLRP3 (0.43) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL20698952 0.76 NLRP3 (0.35) NLRP3
SCHEMBL25139131 0.75 NLRP3 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed