SCHEMBL12493420

SCHEMBL12493420

COc1ccc(CNS(=O)(=O)Cc2ccc(OCc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ PTK2B Q14289 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ AR P10275 2/20 0.51
▸ TP53 P04637 1/20 0.50
▸ BCHE P06276 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ APLNR P35414 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ PPARA Q07869 1/20 0.47

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
SCHEMBL12494016 0.93 ALDH1A1 (0.62) ALDH1A1MAPK1PTK2BTDP1TP53
SCHEMBL12493445 0.92 MAOB (0.53) ALDH1A1MAPK1PTK2BTDP1TP53
SCHEMBL12492802 0.88 ALDH1A1 (0.54) ALDH1A1MAPK1PTK2BTDP1TP53
SCHEMBL12700064 0.85 APLNR (0.49) ALDH1A1MAPK1PTK2BTDP1TP53
SCHEMBL12493897 0.83 APLNR (0.52) ALDH1A1MAPK1PTK2BTP53MEN1
SCHEMBL12494088 0.83 APLNR (0.52) ALDH1A1MAPK1PTK2BTP53MEN1
SCHEMBL12493486 0.82 L3MBTL1 (0.54) ALDH1A1MAPK1PTK2BTDP1TP53
SCHEMBL12492811 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1PTK2BTDP1TP53
SCHEMBL12494308 0.80 SMN1; SMN2 (0.66) ALDH1A1MAPK1PTK2BTP53MEN1
SCHEMBL12494013 0.80 SMN1; SMN2 (0.50) ALDH1A1MAPK1PTK2BTP53MEN1

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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