SCHEMBL20787353

SCHEMBL20787353

C[SH]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1c1ccc(Cl)c(Cc2ccc(OCC(=O)NC(CO)(CO)CO)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 17/20 0.61
SLC5A2 P31639 12/20 0.44
ADRA2A P08913 1/20 0.40
SLC5A11 Q8WWX8 1/20 0.40

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
SCHEMBL20787246 0.91 SLC5A1 (0.63) SLC5A1SLC5A2
SCHEMBL20787259 0.91 SLC5A1 (0.61) SLC5A1SLC5A2
SCHEMBL20787144 0.89 SLC5A1 (0.62) SLC5A1SLC5A2
SCHEMBL20787207 0.86 SLC5A2 (0.57) SLC5A1SLC5A2ADRA2ASLC5A11
SCHEMBL20787407 0.84 SLC5A1 (0.67) SLC5A1SLC5A2
SCHEMBL20787279 0.84 SLC5A1 (0.63) SLC5A1SLC5A2
SCHEMBL19512360 0.82 SLC5A2 (0.58) SLC5A1SLC5A2ADRA2ASLC5A11
SCHEMBL19512412 0.82 SLC5A2 (0.58) SLC5A1SLC5A2ADRA2ASLC5A11
SCHEMBL20787307 0.82 SLC5A1 (0.52) SLC5A1SLC5A2
SCHEMBL20787141 0.80 SLC5A1 (0.50) SLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489226-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2021-02-17 EP disclosed
EP-3489226-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 Lexicon Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed
EP-2925735-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2019-03-13 EP disclosed