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Sugi Predict / Compounds / SCHEMBL22013709

SCHEMBL22013709

SCHEMBL22013709

CC(C)(O)c1csc(S(N)(=O)=NC(=O)Nc2c3c(cc4c2CC(C2Cc5cc6c(c(NC(=O)N=S(N)(=O)c7scc(C(C)(C)O)c7F)c52)CCC6)C4)CCC3)c1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 16/20 0.36
▸ CA2 P00918 1/20 0.33
▸ GSTO1 P78417 1/20 0.31

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
SCHEMBL30244360 0.88 NLRP3 (0.43) NLRP3CA2
SCHEMBL30244070 0.88 NLRP3 (0.43) NLRP3CA2
SCHEMBL21893650 0.88 NLRP3 (0.43) NLRP3CA2
SCHEMBL22012519 0.86 NLRP3 (0.42) NLRP3CA2
SCHEMBL30244265 0.86 NLRP3 (0.42) NLRP3CA2
SCHEMBL30244391 0.86 NLRP3 (0.42) NLRP3CA2
SCHEMBL30243925 0.86 NLRP3 (0.42) NLRP3CA2
SCHEMBL25034003 0.78 NLRP3 (0.36) NLRP3CA2
SCHEMBL22020154 0.77 NLRP3 (0.42) NLRP3
SCHEMBL24979043 0.77 NLRP3 (0.42) 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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — WO disclosed