SCHEMBL4883033

SCHEMBL4883033

Fc1ccc(COc2ccc(C(F)(F)F)cc2I)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SRPK3 Q9UPE1 1/20 0.47
PTPN1 P18031 1/20 0.46
KLK1 P06870 1/20 0.46
APP P05067 1/20 0.45
F2 P00734 1/20 0.44
MRGPRX4 Q96LA9 5/20 0.44
PTGER1 P34995 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PSEN1 P49768 1/20 0.43

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
SCHEMBL4150404 0.86 HTR2C (0.56) LRRK2RXRARXRBRXRGPTPN1
SCHEMBL4883523 0.81 IDO1 (0.49) LRRK2MRGPRX4PTGER1
SCHEMBL5629722 0.78 PTPN1 (0.54) LRRK2RXRARXRBRXRGSRPK3
SCHEMBL4884284 0.78 LRRK2 (0.54) LRRK2RXRARXRBRXRGSRPK3
SCHEMBL31535643 0.78 KLK1 (0.48) KLK1APPF2SLC6A4
SCHEMBL5099851 0.78 SLC6A4 (0.56) KLK1APPF2MRGPRX4PTGER1
SCHEMBL5102967 0.78 MAOB (0.54) LRRK2PTPN1KLK1APPF2
SCHEMBL1647092 0.77 LRRK2 (0.65) LRRK2RXRARXRBRXRGSRPK3
SCHEMBL24313892 0.76 CYP1A2 (0.54) RXRARXRBRXRG
SCHEMBL29469932 0.76 CYP1A2 (0.54) RXRARXRBRXRG

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 LRRK2 1466/4885RXRA 18/4885RXRB 34/4885
US-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 LRRK2 880/4885RXRA 4/4885RXRB 1/4885
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 LRRK2 2590/4885RXRA 88/4885RXRB 70/4885

“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.