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SCHEMBL20692385

SCHEMBL20692385

CNc1cc(C(C)C)c(NC(=O)N=S(N)(=O)c2cc(C(C)(C)O)cc(C(C)(C)O)c2)c(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.41
▸ GAA P10253 1/20 0.32
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL20692391 1.00 NLRP3 (0.41) NLRP3GAACA1CA2CA12
SCHEMBL20692128 0.85 NLRP3 (0.40) NLRP3
SCHEMBL25034217 0.85 NLRP3 (0.40) NLRP3
SCHEMBL20692259 0.85 NLRP3 (0.40) NLRP3
SCHEMBL30243763 0.82 NLRP3 (0.40) NLRP3
SCHEMBL30243600 0.82 NLRP3 (0.40) NLRP3
SCHEMBL21893716 0.82 NLRP3 (0.40) NLRP3
SCHEMBL20692231 0.82 NLRP3 (0.40) NLRP3
SCHEMBL30263807 0.82 NLRP3 (0.40) NLRP3
SCHEMBL26010293 0.82 NLRP3 (0.40) 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
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — WO disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 — — WO disclosed