SCHEMBL2936637

SCHEMBL2936637

O=C(O)Cc1ccc(N2C(=O)c3c(c(OCc4ccccc4)c4ccccc4c3OCc3ccccc3)C2=O)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CA2 P00918 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
BRD4 O60885 1/20 0.38
CA1 P00915 1/20 0.38
HSD17B2 P37059 1/20 0.38
PARK7 Q99497 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9948014 0.95 PTGER4 (0.66) PTGER4CYP1A2CYP2D6
SCHEMBL9947708 0.93 PTGER4 (0.57) PTGER4CYP1A2CYP2D6BRD4USP2
SCHEMBL9947702 0.92 PTGER4 (0.54) PTGER4CYP1A2CYP2D6BRD4USP2
SCHEMBL2923324 0.89 PTGER4 (0.72) PTGER4CYP1A2CYP2D6THRB
SCHEMBL10058495 0.88 PTGER4 (0.53) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL2928448 0.87 PTGER4 (0.61) PTGER4CYP1A2CYP2D6CA2THRA
SCHEMBL9947691 0.87 PTGER4 (0.58) PTGER4CYP1A2CYP2D6BRD4PARK7
SCHEMBL2429161 0.86 PTGER4 (0.55) PTGER4CYP1A2CYP2D6CA2THRA
SCHEMBL3225196 0.86 PTGER4 (0.55) PTGER4CYP1A2CYP2D6CA2ALDH1A1
SCHEMBL10058515 0.86 PTGER4 (0.56) PTGER4CYP1A2CYP2D6ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2046742-B1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-2049485-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-22 EP disclosed
EP-2046742-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-04-15 EP disclosed
WO-2008012344-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO 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 (2 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-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 PTGER4 1/4885CYP1A2 310/4885CYP2D6 393/4885
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 PTGER4 1/4885CYP1A2 293/4885CYP2D6 423/4885

“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.