SCHEMBL1728661

SCHEMBL1728661

OC[C@H]1O[C@@H](Oc2cccc3occ(CCc4ccccc4F)c23)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 16/20 0.48
▸ SLC5A1 P13866 8/20 0.48
▸ TYR P14679 1/20 0.46
▸ SLC28A3 Q9HAS3 1/20 0.44

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
SCHEMBL1728302 0.89 SLC28A3 (0.53) SLC5A2SLC5A1TYRSLC28A3
SCHEMBL1727401 0.88 SLC5A2 (0.55) SLC5A2SLC5A1SLC28A3
SCHEMBL1727962 0.88 SLC5A2 (0.49) SLC5A2SLC5A1SLC28A3
SCHEMBL1728251 0.88 SLC5A2 (0.55) SLC5A2SLC5A1
SCHEMBL1728291 0.88 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL1726690 0.88 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL1728600 0.86 SLC5A2 (0.52) SLC5A2SLC5A1TYR
SCHEMBL1726677 0.84 SLC5A1 (0.56) SLC5A2SLC5A1TYRSLC28A3
SCHEMBL1727529 0.84 SLC5A2 (0.46) SLC5A2SLC5A1TYRSLC28A3
SCHEMBL1728328 0.83 SLC5A2 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 — — EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 — — EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 — — US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 SLC5A2 2/4885SLC5A1 1/4885TYR 600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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