SCHEMBL22014340

SCHEMBL22014340

CC(C)c1cc(F)cc(C(C)C)c1CC(=O)N=S(C)(=O)c1ccc(C(C)(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.36
HSD11B1 P28845 4/20 0.35
NR1I2 O75469 1/20 0.32
AR P10275 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
SOAT2 O75908 1/20 0.30
MYC P01106 1/20 0.30
SOAT1 P35610 1/20 0.30
MAP2K3 P46734 1/20 0.30
RORC P51449 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
SCHEMBL23692319 0.88 NLRP3 (0.35) NLRP3HSD11B1NR1I2PSEN1PSEN2
SCHEMBL23692255 0.88 NLRP3 (0.35) NLRP3HSD11B1NR1I2PSEN1PSEN2
SCHEMBL20698735 0.88 NLRP3 (0.35) NLRP3HSD11B1NR1I2PSEN1PSEN2
SCHEMBL28405824 0.86 NLRP3 (0.35) NLRP3HSD11B1NR1I2ARPSEN1
SCHEMBL20699039 0.82 NLRP3 (0.35) NLRP3HSD11B1
SCHEMBL19508016 0.79 NLRP3 (0.54) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL20698833 0.77 NLRP3 (0.31) NLRP3HSD11B1
SCHEMBL20681225 0.77 NLRP3 (0.46) NLRP3HSD11B1SOAT2MYCSOAT1
SCHEMBL20681344 0.77 NLRP3 (0.46) NLRP3HSD11B1SOAT2MYCSOAT1
SCHEMBL29687550 0.77 NLRP3 (0.46) NLRP3HSD11B1SOAT2MYCSOAT1

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