SCHEMBL12492810

SCHEMBL12492810

COc1ccc(CNS(=O)(=O)Cc2ccccc2Cl)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ APLNR P35414 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SLC6A4 P31645 2/20 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
SCHEMBL12492806 0.86 APLNR (0.52) ALDH1A1MAPK1APLNRTP53TSHR
SCHEMBL12494016 0.83 ALDH1A1 (0.62) ALDH1A1MAPK1APLNRTP53MEN1
SCHEMBL28452492 0.81 APLNR (0.63) ALDH1A1APLNRTP53TSHRMEN1
SCHEMBL12494308 0.81 SMN1; SMN2 (0.66) ALDH1A1MAPK1APLNRTP53TSHR
SCHEMBL12492802 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1APLNRTP53TSHR
SCHEMBL28970344 0.78 APLNR (0.58) ALDH1A1MAPK1APLNRTP53TSHR
SCHEMBL5960051 0.78 ALDH1A1 (0.69) ALDH1A1MAPK1TP53KMT2ASMN1; SMN2
SCHEMBL12492811 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1APLNRTP53MEN1
SCHEMBL12493420 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1APLNRTP53MEN1
SCHEMBL11300017 0.77 TP53 (0.55) ALDH1A1APLNRTP53TSHRMEN1

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 6 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
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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