SCHEMBL1734974

SCHEMBL1734974

CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1)C2=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.71
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
TBXA2R P21731 1/20 0.52
PTGFR P43088 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
PTGDR Q13258 1/20 0.52

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
SCHEMBL5223034 0.91 PTGER4 (0.74) PTGER4CYP1A2CYP2D6
SCHEMBL1735850 0.88 PTGER4 (0.78) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL1735872 0.87 PTGER4 (0.68) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL1735898 0.87 PTGER4 (0.85) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL1735941 0.86 PTGER4 (0.83) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL5219916 0.86 PTGER4 (0.67) PTGER4CYP1A2CYP2D6
SCHEMBL5220051 0.80 PTGER4 (0.62) PTGER4CYP1A2CYP2D6TBXA2RPTGFR
SCHEMBL5223597 0.79 PTGER4 (1.00) PTGER4
SCHEMBL5223264 0.79 PTGER4 (0.65) PTGER4CYP1A2CYP2D6TBXA2RPTGFR
SCHEMBL1735894 0.79 PTGER4 (1.00) PTGER4TBXA2RPTGFRPTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP claimed
US-20110262430-A1 NOVEL ANTIBODIES ELLIS JONATHAN HENRY 2011-10-27 US claimed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US claimed
EP-1885722-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2008-02-13 EP claimed
WO-2006122403-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2006-11-23 WO claimed
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP disclosed
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP disclosed
US-20110262430-A1 NOVEL ANTIBODIES ELLIS JONATHAN HENRY 2011-10-27 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US 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-20090099226-A1 Quinoline derivatives as ep4 antagonists PTGER4, PTGER1, PTGER3 PTGER4 1/4885CYP1A2 360/4885CYP2D6 497/4885

“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.