SCHEMBL4878036

SCHEMBL4878036

Clc1ccc(OCc2ccccc2)c(-c2ccncc2Br)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 18/20 0.61
CYP2C9 P11712 3/20 0.61
CYP3A4 P08684 1/20 0.61
LRRK2 Q5S007 1/20 0.51
TBXA2R P21731 5/20 0.49
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL5096000 0.84 PTGER1 (0.64) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL4883549 0.80 PTGER1 (0.58) PTGER1CYP2C9CYP3A4LRRK2TBXA2R
SCHEMBL14029164 0.79 GCGR (0.47) PTGER1CYP2C9CYP3A4
SCHEMBL17051193 0.77 LMNA (0.48) HTR2AHTR2C
SCHEMBL2112850 0.76 PTGER1 (0.55) PTGER1CYP2C9CYP3A4LRRK2TBXA2R
SCHEMBL30452934 0.76 ABCB1 (0.50) LRRK2
SCHEMBL2101145 0.76 RAB9A (0.56) PTGER1LRRK2HTR2C
SCHEMBL3606177 0.76 ABCB1 (0.50) LRRK2
SCHEMBL4882993 0.76 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL4880523 0.76 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R

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
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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 (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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR PTGER1 1/4885CYP2C9 820/4885CYP3A4 1749/4885

“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.