SCHEMBL10058495

SCHEMBL10058495

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.53
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL10058515 0.98 PTGER4 (0.56) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL10058527 0.95 PTGER4 (0.49) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL10058525 0.94 PTGER4 (0.48) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL14431074 0.93 PTGER4 (0.47) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL12002032 0.93 PTGER4 (0.47) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL13177483 0.92 PTGER4 (0.59) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL14431073 0.92 PTGER4 (0.46) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL9948014 0.89 PTGER4 (0.66) PTGER4CYP1A2CYP2D6KDM4E
SCHEMBL13177679 0.89 PTGER4 (0.52) PTGER4CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL10058509 0.89 PTGER4 (0.53) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US 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
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US 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
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 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 (3 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885CYP1A2 41/4885CYP2D6 52/4885
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.