SCHEMBL4680271

SCHEMBL4680271

Cc1cccc(COc2ccc(Br)cc2Cn2nc(C(=O)O)cc2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 1.00
CYP1A2 P05177 1/20 0.85

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
SCHEMBL4681451 0.94 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4096041 0.92 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4683864 0.90 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4680673 0.87 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4684584 0.87 PTGER1 (0.76) PTGER1CYP1A2
SCHEMBL4684647 0.86 PTGER1 (0.85) PTGER1CYP1A2
SCHEMBL4680603 0.85 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4686673 0.85 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4686760 0.84 PTGER1 (1.00) PTGER1CYP1A2
SCHEMBL4095810 0.84 PTGER1 (0.85) 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 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 208/4885

“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.