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Sugi Predict / Compounds / SCHEMBL20787331

SCHEMBL20787331

SCHEMBL20787331

CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(CCCCCNC(=O)NC(C)(C)CO)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 19/20 1.00
▸ SLC5A2 P31639 4/20 0.77

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
SCHEMBL20787227 0.99 SLC5A1 (0.98) SLC5A1SLC5A2
SCHEMBL20787312 0.92 SLC5A1 (0.85) SLC5A1SLC5A2
SCHEMBL15748765 0.91 SLC5A1 (1.00) SLC5A1SLC5A2
SCHEMBL20787168 0.90 SLC5A1 (0.98) SLC5A1SLC5A2
SCHEMBL20787230 0.89 SLC5A1 (1.00) SLC5A1SLC5A2
SCHEMBL15748740 0.88 SLC5A1 (0.79) SLC5A1SLC5A2
SCHEMBL20787354 0.88 SLC5A1 (0.98) SLC5A1SLC5A2
SCHEMBL20787285 0.88 SLC5A1 (1.00) SLC5A1SLC5A2
SCHEMBL15742224 0.88 SLC5A1 (1.00) SLC5A1SLC5A2
SCHEMBL20787368 0.87 SLC5A1 (0.94) 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