SCHEMBL4884412

SCHEMBL4884412

CCOC(=O)c1cc(NC(C)=O)cc(-c2ccncc2-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.56
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
PPIA P62937 3/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4883013 0.90 PTGER1 (0.68) PTGER1CYP11B1CYP11B2PPIACYP3A4
SCHEMBL4882787 0.90 PTGER1 (0.54) PTGER1CYP11B1CYP11B2PPIACYP3A4
SCHEMBL4886525 0.85 PTGER1 (0.63) PTGER1PPIACYP3A4CYP2C9ALDH1A1
SCHEMBL4882826 0.84 LRRK2 (0.48) PTGER1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL5109940 0.82 PTGER1 (0.81) PTGER1CYP3A4CYP2C9RAB9A
SCHEMBL4884364 0.81 PTGER1 (0.62) PTGER1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL4886712 0.78 PTGER1 (0.43) PTGER1CYP2C9ALDH1A1MAPTKMT2A
SCHEMBL5102961 0.77 PTGER1 (0.57) PTGER1PPIACYP3A4CYP2C9
SCHEMBL4887331 0.77 ALDH1A1 (0.52) CYP3A4ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4886526 0.76 PTGER1 (0.54) PTGER1CYP3A4CYP2C9

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 1/4885CYP11B1 335/4885CYP11B2 345/4885

“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.