SCHEMBL673906

SCHEMBL673906

OC[C@H]1O[C@@H](c2ccc3scc(CCc4ccccc4)c3c2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 20/20 0.62
▸ CHRM1 P11229 1/20 0.45
▸ SLC5A1 P13866 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL677592 0.92 SLC5A2 (0.55) SLC5A2SLC5A1
SCHEMBL677585 0.91 SLC5A2 (0.50) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL677584 0.90 SLC5A2 (0.60) SLC5A2SLC5A1
SCHEMBL677558 0.88 SLC5A2 (0.63) SLC5A2SLC5A1
SCHEMBL677572 0.85 SLC5A2 (0.49) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL677595 0.83 SLC5A2 (0.47) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL675703 0.82 SLC5A2 (0.50) SLC5A2SLC5A1
SCHEMBL677561 0.82 SLC5A2 (0.65) SLC5A2SLC5A1
SCHEMBL676796 0.81 SLC5A2 (0.66) SLC5A2SLC5A1
SCHEMBL677533 0.81 SLC5A2 (0.54) SLC5A2

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
US-8058245-B2 Fused heterocycle derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-11-15 — — US disclosed
US-20070197450-A1 Fused heterocycle derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. 2007-08-23 — — US disclosed
EP-1721904-A1 FUSED HETEROCYCLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2006-11-15 — — 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-20070197450-A1 Fused heterocycle derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 SLC5A2 2/4885CHRM1 1540/4885SLC5A1 1/4885

“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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