SCHEMBL3535227

SCHEMBL3535227

CCO[C@@H](Cc1ccc(O)cc1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
PPARA Q07869 7/20 0.52
MIF P14174 2/20 0.50
PTGS2 P35354 3/20 0.47
PPARG P37231 5/20 0.46
PPARD Q03181 2/20 0.46
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL3535230 1.00 ESR1 (0.58) ESR1ESR2PPARAMIFPTGS2
SCHEMBL4821206 0.89 CA1 (0.56) ESR1ESR2PPARAMIFPTGS2
SCHEMBL6419166 0.89 PPARA (0.54) ESR1ESR2PPARAPTGS2PPARG
SCHEMBL977514 0.89 PPARA (0.54) ESR1ESR2PPARAPTGS2PPARG
SCHEMBL977513 0.89 PPARA (0.54) ESR1ESR2PPARAPTGS2PPARG
SCHEMBL7815559 0.88 ESR1 (0.55) ESR1ESR2PPARAMIFPTGS2
SCHEMBL1865433 0.86 PPARA (0.48) ESR1ESR2PPARAPPARGPPARD
SCHEMBL1750767 0.86 PPARA (0.51) ESR1ESR2PPARAPPARGPPARD
SCHEMBL3536105 0.86 PPARA (0.48) ESR1ESR2PPARAPPARGPPARD
SCHEMBL1750768 0.86 PPARA (0.51) ESR1ESR2PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550719-B2 Process for the preparation of 3-aryl-2-hydroxy propanoic acid compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-01-24 US disclosed
US-20160102042-A1 A PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-14 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 WO disclosed
US-6559335-B2 Benzylation; concurrent etherification, esterification DR. REDDY'S LABORATORIES LIMITED (IN) 2003-05-06 US disclosed
US-20020177726-A1 Process for the preparation of 3-aryl-2-hydroxy propanoic acid DR. REDDY'S RESEARCH FOUNDATION 2002-11-28 US disclosed
WO-2002024625-A2 PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID DERIVATIVES DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-03-28 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 (4 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD ESR1 1589/4885ESR2 491/4885PPARA 2/4885
US-20160102042-A1 A PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID COMPOUNDS P4HA1, HCAR1, HPD ESR1 2872/4885ESR2 2877/4885PPARA 206/4885
US-20020177726-A1 Process for the preparation of 3-aryl-2-hydroxy propanoic acid HPD, HAO1, HAAO ESR1 4342/4885ESR2 3747/4885PPARA 265/4885
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD ESR1 136/4885ESR2 52/4885PPARA 2/4885

“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.