SCHEMBL30346152

SCHEMBL30346152

O=C(Cc1ccc(F)c(F)c1)Nc1ccc2c(c1)S(=O)(=O)C=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.48
PLCG2 P16885 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KCNQ2 O43526 1/20 0.43
MAPK8 P45983 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
USP7 Q93009 2/20 0.41
EPHX2 P34913 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
STS P08842 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL26087977 1.00 STAT3 (0.48) STAT3PLCG2CA12CA9KCNQ2
SCHEMBL26087980 0.88 KCNQ2 (0.43) STAT3CA12CA9KCNQ2MAPK8
SCHEMBL26088010 0.88 GAA (0.58) STAT3PLCG2CA12CA9GAA
SCHEMBL30345688 0.88 GAA (0.58) STAT3PLCG2CA12CA9GAA
SCHEMBL26087963 0.85 MEN1 (0.52) STAT3PLCG2CA12CA9LMNA
SCHEMBL26087758 0.85 STAT3 (0.50) STAT3PLCG2CA12CA9MAPK8
SCHEMBL26090491 0.85 MEN1 (0.55) STAT3PLCG2CA12CA9KCNQ2
SCHEMBL30345859 0.85 MEN1 (0.55) STAT3PLCG2CA12CA9KCNQ2
SCHEMBL30346053 0.83 NLRP3 (0.56) STAT3PLCG2CA12CA9MAPK8
SCHEMBL26087853 0.83 NLRP3 (0.56) STAT3PLCG2CA12CA9MAPK8

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-2023068852-A1 BENZOTHIOPHENE-1,1-DIOXIDE DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-04-27 WO claimed
WO-2023068852-A1 BENZOTHIOPHENE-1,1-DIOXIDE DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-04-27 WO disclosed