SCHEMBL4886712

SCHEMBL4886712

CCOC(=O)c1cc(NC(C)=O)cc(-c2ccncc2-c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.43
TBXA2R P21731 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.39
LRRK2 Q5S007 1/20 0.38
SRPK3 Q9UPE1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
PPARA Q07869 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4884253 0.92 PTGER1 (0.50) PTGER1TBXA2RPTGER4PTGER3LRRK2
SCHEMBL4882826 0.90 LRRK2 (0.48) PTGER1LRRK2SRPK3CYP2C9
SCHEMBL4882787 0.87 PTGER1 (0.54) PTGER1LRRK2SRPK3CYP2C9
SCHEMBL5621027 0.84 PTGER1 (0.49) PTGER1TBXA2RPTGER4PTGER3MRGPRX4
SCHEMBL4886526 0.82 PTGER1 (0.54) PTGER1MRGPRX4LRRK2SRPK3CYP2C9
SCHEMBL4884364 0.79 PTGER1 (0.62) PTGER1MRGPRX4LRRK2CYP2C9
SCHEMBL4884412 0.78 PTGER1 (0.56) PTGER1CYP2C9MAPTKMT2AALDH1A1
SCHEMBL5102892 0.76 PTGER1 (0.59) PTGER1TBXA2RPTGER4PTGER3MRGPRX4
SCHEMBL5621024 0.75 PTGER1 (0.57) PTGER1TBXA2RPTGER4PTGER3CYP2C9
SCHEMBL5621036 0.75 PTGER1 (0.46) PTGER1TBXA2RPTGER4PTGER3MRGPRX4

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 5 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
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 1/4885TBXA2R 18/4885PTGER4 8/4885

“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.