SCHEMBL1728107

SCHEMBL1728107

OC[C@H]1O[C@@H](Oc2cccc3occ(CCc4cccc(-c5ccccc5)c4)c23)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 13/20 0.53
▸ SLC5A1 P13866 8/20 0.53
▸ SELP P16109 2/20 0.49
▸ SELPLG Q14242 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1726690 0.92 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL1728291 0.92 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL1726978 0.89 SLC5A1 (0.52) SLC5A2SLC5A1
SCHEMBL1728600 0.89 SLC5A2 (0.52) SLC5A2SLC5A1
SCHEMBL1727417 0.88 SLC5A2 (0.51) SLC5A2SLC5A1
SCHEMBL1728404 0.88 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL1728320 0.87 SLC5A2 (0.70) SLC5A2SLC5A1
SCHEMBL1727413 0.86 SLC5A2 (0.51) SLC5A2SLC5A1SELPSELPLG
SCHEMBL13764480 0.86 SLC5A2 (0.57) SLC5A2SLC5A1
SCHEMBL2700557 0.85 SLC5A2 (0.53) 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 1/4885SELP 1576/4885

“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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