SCHEMBL4091313

SCHEMBL4091313

Cc1cc(C(=O)O)nn1Cc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.85
CYP1A2 P05177 1/20 0.77

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
SCHEMBL4683984 0.95 PTGER1 (0.85) PTGER1CYP1A2
SCHEMBL4085693 0.93 PTGER1 (0.83) PTGER1
SCHEMBL4091254 0.93 PTGER1 (0.83) PTGER1
SCHEMBL4085523 0.92 PTGER1 (1.00) PTGER1
SCHEMBL4680877 0.91 PTGER1 (0.79) PTGER1CYP1A2
SCHEMBL4092092 0.90 PTGER1 (1.00) PTGER1
SCHEMBL4090827 0.90 PTGER1 (0.79) PTGER1CYP1A2
SCHEMBL252356 0.90 PTGER1 (0.79) PTGER1
SCHEMBL4085873 0.90 PTGER1 (0.85) PTGER1
SCHEMBL15050017 0.90 PTGER1 (0.74) PTGER1CYP1A2

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-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP claimed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR PTGER1 1/4885CYP1A2 150/4885
US-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 PTGER1 1257/4885CYP1A2 208/4885

“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.