SCHEMBL4450804

SCHEMBL4450804

Cc1cccc(COc2cccc(OCc3coc(-c4ccccc4)n3)c2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.55
FFAR1 O14842 3/20 0.53
PPARG P37231 10/20 0.50
SLC26A4 O43511 1/20 0.46
PTGER4 P35408 1/20 0.45

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
SCHEMBL4452526 0.92 PPARA (0.57) PPARAFFAR1PPARG
SCHEMBL5726841 0.91 FFAR1 (0.59) PPARAFFAR1PPARGPTGER4
SCHEMBL5724659 0.91 PPARA (0.57) PPARAFFAR1PPARG
SCHEMBL5726670 0.86 PPARA (0.42) PPARAFFAR1PPARGSLC26A4
SCHEMBL5725307 0.82 PPARA (0.58) PPARAFFAR1PPARG
SCHEMBL3871816 0.82 FFAR1 (0.43) PPARAFFAR1PPARG
SCHEMBL29474979 0.82 FFAR1 (0.43) PPARAFFAR1PPARG
SCHEMBL6088808 0.82 SLC26A4 (0.46) PPARAFFAR1SLC26A4PTGER4
SCHEMBL5726047 0.82 FFAR1 (0.55) PPARAFFAR1PPARG
SCHEMBL6088674 0.82 SLC26A4 (0.63) FFAR1SLC26A4PTGER4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582794-B2 Process for the preparation of substituted 2-(phenoxymethyl)benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
EP-1699748-B1 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-10-15 EP disclosed
US-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-20 US disclosed
US-7238835-B2 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-03 US disclosed
EP-1699748-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS Sanofi-Aventis Deutschland GmbH (DE) 2006-09-13 EP disclosed
EP-1177176-B1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
US-20050171205-A1 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-04 US disclosed
WO-2005061427-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 2-(PHENOXYMETHYL)-BENZOIC ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-07-07 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 (2 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-20070219395-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-(PHENOXYMETHYL)BENZOIC ACIDS CYP2B6, CYP1B1, CYP4B1 PPARA 1914/4885FFAR1 2703/4885PPARG 1124/4885
US-20050171205-A1 Process for the preparation of substituted 2-(phenoxymethyl) benzoic acids CYP2B6, CYP1B1, CYP4B1 PPARA 1914/4885FFAR1 2703/4885PPARG 1124/4885

“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.