SCHEMBL1728212

SCHEMBL1728212

COC(=O)COc1cc(OCc2ccccc2)cc(O)c1C(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.52
SLC5A2 P31639 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ABCB1 P08183 1/20 0.46
FFAR1 O14842 4/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CYP19A1 P11511 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CBS P35520 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL1726651 0.90 SLC5A1 (0.63) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL4273295 0.85 FFAR1 (0.60) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL1728151 0.82 ABCB1 (0.53) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL13764460 0.80 MAOB (0.47) SLC5A1SLC5A2GAAMAPTNPC1
SCHEMBL1937964 0.80 NFKB1 (0.68) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL29435841 0.80 NFKB1 (0.68) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL14750935 0.79 FFAR1 (0.55) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL4742840 0.76 NFKB1 (0.80) SLC5A1SLC5A2GAAMAPTNFKB1
SCHEMBL23422279 0.76 MEN1 (0.49) SLC5A1SLC5A2GAAMAPTLMNA
SCHEMBL29565658 0.76 MEN1 (0.49) SLC5A1SLC5A2GAAMAPTLMNA

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 SLC5A1 1/4885SLC5A2 2/4885GAA 172/4885

“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.