SCHEMBL20787207

SCHEMBL20787207

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 16/20 0.57
SLC5A1 P13866 11/20 0.57
ADRA2A P08913 1/20 0.43
SLC5A11 Q8WWX8 1/20 0.43
MCL1 Q07820 1/20 0.42

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
SCHEMBL20787305 0.90 SLC5A1 (0.59) SLC5A2SLC5A1
SCHEMBL20787284 0.89 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL19512412 0.88 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL19512360 0.88 SLC5A2 (0.58) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20787141 0.86 SLC5A1 (0.50) SLC5A2SLC5A1
SCHEMBL20787353 0.86 SLC5A1 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20787165 0.85 SLC5A1 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20787104 0.85 SLC5A1 (0.55) SLC5A2SLC5A1
SCHEMBL20787144 0.84 SLC5A1 (0.62) SLC5A2SLC5A1
SCHEMBL20787137 0.84 SLC5A1 (0.49) SLC5A2SLC5A1

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