SCHEMBL1728397

SCHEMBL1728397

CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.49
▸ PDIA4 P13667 1/20 0.49
▸ PDIA3 P30101 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CA2 P00918 3/20 0.46
▸ SLC28A3 Q9HAS3 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA5A P35218 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA5B Q9Y2D0 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP2C9 P11712 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
SCHEMBL12807947 0.91 SLC28A3 (0.43) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL7591908 0.88 P4HB (0.48) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL1726811 0.86 HSD17B10 (0.46) CYP2D6THRBHSD17B10TSHRMEN1
SCHEMBL1728220 0.85 CYP2D6 (0.45) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL14773376 0.85 P4HB (0.53) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL1726710 0.85 P4HB (0.61) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL8654501 0.85 P4HB (0.61) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL14773319 0.82 HSD17B10 (0.53) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL8376188 0.81 P4HB (0.57) P4HBPDIA4PDIA3CA2SLC28A3
SCHEMBL8376183 0.81 P4HB (0.57) P4HBPDIA4PDIA3CA2SLC28A3

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 8 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
EP-0850948-B1 Propiophenone derivatives and process for preparing the same TANABE SEIYAKU CO (JP) 2002-04-24 — — EP disclosed
US-6048842-A ANTIDIABETIC AGENT TANABE SEIYAKU CO., LTD. (JP) 2000-04-11 — — US disclosed
EP-0850948-A1 Propiophenone derivatives and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-07-01 — — 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 P4HB 661/4885PDIA4 2434/4885PDIA3 1630/4885

“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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