SCHEMBL29091127

SCHEMBL29091127

C[C@H](c1cccc([C@@H](C)C2CC2)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)co1)C1CC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.77
CA2 P00918 1/20 0.57
GSTO1 P78417 1/20 0.43

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
SCHEMBL29091091 1.00 NLRP3 (0.77) NLRP3CA2GSTO1
SCHEMBL29091102 1.00 NLRP3 (0.77) NLRP3CA2GSTO1
SCHEMBL29091089 1.00 NLRP3 (0.77) NLRP3CA2GSTO1
SCHEMBL24805920 0.97 NLRP3 (0.83) NLRP3CA2GSTO1
SCHEMBL28569216 0.97 NLRP3 (0.83) NLRP3CA2GSTO1
SCHEMBL24807088 0.97 NLRP3 (0.83) NLRP3CA2GSTO1
SCHEMBL29091060 0.90 NLRP3 (0.63) NLRP3CA2GSTO1
SCHEMBL30070699 0.90 NLRP3 (0.63) NLRP3CA2GSTO1
SCHEMBL30070718 0.90 NLRP3 (0.63) NLRP3CA2GSTO1
SCHEMBL23360939 0.88 NLRP3 (0.68) NLRP3CA2GSTO1

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
CN-116917282-A Amide derivatives and use thereof 成都百裕制药股份有限公司 2023-10-20 CN disclosed
WO-2022237781-A1 AMIDE DERIVATIVE AND APPLICATION THEREOF 成都百裕制药股份有限公司 2022-11-17 WO disclosed