SCHEMBL5607289

SCHEMBL5607289

CC(C)OC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.51
PPARA Q07869 12/20 0.50
PPARG P37231 11/20 0.50
PPARD Q03181 9/20 0.50
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
FOLH1 Q04609 1/20 0.47
SRR Q9GZT4 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL7108323 1.00 SLC7A5 (0.51) SLC7A5PPARAPPARGPPARDTAAR1
SCHEMBL7108081 1.00 SLC7A5 (0.51) SLC7A5PPARAPPARGPPARDTAAR1
SCHEMBL24328238 0.86 SRR (0.62) PPARAPPARGSRR
SCHEMBL8023124 0.86 SRR (0.62) PPARAPPARGSRR
SCHEMBL3963049 0.85 PPARA (0.48) SLC7A5PPARAPPARGPPARDTAAR1
SCHEMBL6732246 0.85 PPARA (0.48) SLC7A5PPARAPPARGPPARDTAAR1
SCHEMBL24328386 0.85 PPARG (0.58) PPARAPPARGPPARDSRR
SCHEMBL3993110 0.83 ESR1 (0.58) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL13792677 0.83 ESR1 (0.58) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL4451311 0.82 PPARA (0.56) SLC7A5PPARAPPARGPPARDSRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
WO-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030008361-A1 Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids EBDRUP SOREN (DK) 2003-01-09 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
CN-1375013-A Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids NOVO NORDISK AS (DK) 2002-10-16 CN disclosed
EP-1206565-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2002-05-22 EP disclosed
CN-1312795-A Novel 3-arylpropionic acid derivatives and analogs thereof ASTRA ZENECA AKTIEBOLAG (SE) 2001-09-12 CN disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-2001011073-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2001-02-15 WO disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 SLC7A5 905/4885PPARA 11/4885PPARG 22/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 SLC7A5 905/4885PPARA 11/4885PPARG 22/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD SLC7A5 3571/4885PPARA 2/4885PPARG 1/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR SLC7A5 682/4885PPARA 472/4885PPARG 1052/4885

“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.