SCHEMBL3572228

SCHEMBL3572228

CCCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
PPARG P37231 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL4617779 0.96 PTGER4 (0.67) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL3568198 0.95 PTGER4 (0.71) PTGER4CYP1A2CYP2D6
SCHEMBL3571086 0.93 PTGER4 (0.80) PTGER4CYP1A2CYP2D6PPARGTHRA
SCHEMBL3561110 0.91 PTGER4 (0.85) PTGER4CYP1A2CYP2D6
SCHEMBL3564798 0.91 PTGER4 (0.76) PTGER4CYP1A2CYP2D6
SCHEMBL3963663 0.90 PTGER4 (0.87) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL13594713 0.89 PTGER4 (0.58) PTGER4CYP1A2CYP2D6
SCHEMBL6935813 0.89 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PPARGTHRA
SCHEMBL3565993 0.89 PTGER4 (0.77) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL4410567 0.88 PTGER4 (0.69) PTGER4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886993-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2013-09-18 EP claimed
US-7732622-B2 Naphthalene derivatives GLAXO GROUP LIMITED (GB) 2010-06-08 US claimed
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid CONGREVE MILES STUART 2008-09-25 US claimed
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor GLAXO GROUP LIMITED (GB) 2005-04-14 US claimed
EP-1886993-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-7732622-B2 Naphthalene derivatives GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid CONGREVE MILES STUART 2008-09-25 US disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 WO disclosed
EP-1886993-A1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor CONGREVE MILES S 2007-04-19 US disclosed
US-7166631-B2 Benzo[f]isoindole derivatives with affinity to the EP4 receptor GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor GLAXO GROUP LIMITED (GB) 2005-04-14 US disclosed
EP-1368312-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
WO-2002064564-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2002-08-22 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 (4 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-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor PTGER4, PTGER1, PTGER3 PTGER4 1/4885CYP1A2 532/4885CYP2D6 467/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 PTGER4 1/4885CYP1A2 376/4885CYP2D6 346/4885
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid PTGER3, OPRL1, PTGER1 PTGER4 21/4885CYP1A2 567/4885CYP2D6 610/4885
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 PTGER4 1/4885CYP1A2 328/4885CYP2D6 445/4885

“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.