SCHEMBL4684002

SCHEMBL4684002

Cc1cc(C(=O)O)cn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.70
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NR4A2 P43354 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47

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
SCHEMBL4686282 0.92 PTGER1 (0.70) PTGER1CYP2C9
SCHEMBL4686667 0.90 PTGER1 (0.56) PTGER1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4684051 0.89 PTGER1 (0.74) PTGER1CYP1A2CYP2C9CYP2C19MRGPRX4
SCHEMBL4680467 0.88 PTGER1 (0.83) PTGER1MRGPRX4
SCHEMBL4683305 0.87 PTGER1 (0.58) PTGER1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4683334 0.85 PTGER1 (0.78) PTGER1MRGPRX4
SCHEMBL5469113 0.83 PTGER1 (1.00) PTGER1MRGPRX4
SCHEMBL4683785 0.82 PTGER1 (0.58) PTGER1
SCHEMBL4685275 0.80 PTGER1 (0.62) PTGER1
SCHEMBL4680869 0.78 PTGER1 (0.59) PTGER1CYP1A2CYP2C9CYP2C19

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 4 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
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 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

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-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 PTGER1 1257/4885CYP1A2 208/4885CYP3A4 280/4885

“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.