SCHEMBL4882787

SCHEMBL4882787

CCOC(=O)c1cc(NC(C)=O)cc(-c2ccncc2-c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.54
LRRK2 Q5S007 3/20 0.48
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PPIA P62937 2/20 0.43
GPBAR1 Q8TDU6 2/20 0.42
SRPK3 Q9UPE1 1/20 0.41

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
SCHEMBL4882826 0.93 LRRK2 (0.48) PTGER1LRRK2CYP2C9CYP3A4CYP11B1
SCHEMBL4884364 0.92 PTGER1 (0.62) PTGER1LRRK2CYP2C9CYP3A4CYP11B1
SCHEMBL4884412 0.90 PTGER1 (0.56) PTGER1CYP2C9CYP3A4CYP11B1CYP11B2
SCHEMBL4886712 0.87 PTGER1 (0.43) PTGER1LRRK2CYP2C9SRPK3
SCHEMBL4886526 0.86 PTGER1 (0.54) PTGER1LRRK2CYP2C9CYP3A4SRPK3
SCHEMBL5621363 0.83 PTGER1 (0.60) PTGER1CYP2C9
SCHEMBL5096287 0.83 PTGER1 (0.66) PTGER1LRRK2CYP2C9PPIA
SCHEMBL4883013 0.80 PTGER1 (0.68) PTGER1CYP2C9CYP3A4CYP11B1CYP11B2
SCHEMBL5109940 0.80 PTGER1 (0.81) PTGER1CYP2C9CYP3A4
SCHEMBL4884253 0.79 PTGER1 (0.50) PTGER1LRRK2CYP2C9CYP3A4SRPK3

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 1/4885LRRK2 2590/4885CYP2C9 820/4885

“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.