SCHEMBL4883523

SCHEMBL4883523

Fc1ccc(COc2ccc(C(F)(F)F)cc2I)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.49
AGXT P21549 2/20 0.44
PTGER1 P34995 5/20 0.41
MAOB P27338 1/20 0.40
CCR5 P51681 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
LRRK2 Q5S007 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL4883033 0.81 LRRK2 (0.51) PTGER1MRGPRX4LRRK2
SCHEMBL5109140 0.81 IDO1 (0.47) IDO1AGXTPTGER1MAOBCCR5
SCHEMBL5109133 0.80 IDO1 (0.46) IDO1AGXTPTGER1MAOBCCR5
SCHEMBL5478172 0.80 MEN1 (0.46) IDO1AGXTPTGER1MAOBCCR5
SCHEMBL5096177 0.80 CCR5 (0.55) IDO1AGXTPTGER1CCR5MAPK14
SCHEMBL4886506 0.78 MAOB (0.58) IDO1AGXTMAOBMRGPRX4FFAR1
SCHEMBL5468595 0.74 MAOB (0.46) IDO1PTGER1MAOBMRGPRX4LRRK2
SCHEMBL5109200 0.74 PTGER1 (0.44) IDO1PTGER1MRGPRX4LRRK2
SCHEMBL4150404 0.74 HTR2C (0.56) MRGPRX4LRRK2FFAR1
SCHEMBL31307779 0.73 IDO1 (0.54) IDO1PTGER1MRGPRX4FFAR1

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 13 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
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 US disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 WO disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 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 (3 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-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 IDO1 1047/4885AGXT 1475/4885PTGER1 323/4885
US-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 IDO1 2126/4885AGXT 1641/4885PTGER1 504/4885
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 IDO1 1081/4885AGXT 3092/4885PTGER1 1/4885

“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.