SCHEMBL12493512

SCHEMBL12493512

COc1ccc(CNS(=O)(=O)Cc2cccc(C(=O)O)c2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PPARA Q07869 1/20 0.50
▸ FABP4 P15090 1/20 0.50
▸ AKR1C3 P42330 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12493367 0.91 SMN1; SMN2 (0.52) MRGPRX4SMN1; SMN2TP53RAB9AMEN1
SCHEMBL12494016 0.86 ALDH1A1 (0.62) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL12494013 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL12494308 0.83 SMN1; SMN2 (0.66) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL12493445 0.81 MAOB (0.53) SMN1; SMN2TP53PPARAALDH1A1MAPK1
SCHEMBL12493991 0.81 APLNR (0.49) SMN1; SMN2TP53RAB9AMEN1KMT2A
SCHEMBL12493486 0.81 L3MBTL1 (0.54) SMN1; SMN2TP53AKR1C3MEN1KMT2A
SCHEMBL12493420 0.80 ALDH1A1 (0.55) SMN1; SMN2TP53PPARAMEN1KMT2A
SCHEMBL12492802 0.79 ALDH1A1 (0.54) TP53MEN1KMT2AALDH1A1MAPK1
SCHEMBL12494088 0.79 APLNR (0.52) SMN1; SMN2TP53MEN1KMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683703-B1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI SA (FR) 2015-05-27 — — EP disclosed
EP-2683703-B1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI SA (FR) 2015-05-27 — — EP disclosed
US-8895547-B2 Substituted phenyl-oxathiazine derivatives, method for producing them, drugs containing said compounds and the use thereof SANOFI (FR) 2014-11-25 — — US disclosed
US-8895547-B2 Substituted phenyl-oxathiazine derivatives, method for producing them, drugs containing said compounds and the use thereof SANOFI (FR) 2014-11-25 — — US disclosed
EP-2683703-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2014-01-15 — — EP disclosed
WO-2012120057-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2012-09-13 — — WO disclosed
WO-2012120057-A1 NOVEL SUBSTITUTED PHENYL-OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI (FR) 2012-09-13 — — WO disclosed
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