SCHEMBL3100628

SCHEMBL3100628

CS(=O)(=O)Oc1ccc(OCCc2ccc(CC(SCCc3ccc(O)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.71
PPARG P37231 12/20 0.71
FFAR1 O14842 1/20 0.43
PPARD Q03181 2/20 0.42

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
SCHEMBL3946198 1.00 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL3100619 1.00 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL5474463 0.99 PPARA (0.70) PPARAPPARGFFAR1PPARD
Tert-Butylamine SCHEMBL3112027 0.95 PPARA (0.68) PPARAPPARGFFAR1PPARD
Piperazine SCHEMBL5413975 0.94 PPARA (0.65) PPARAPPARGFFAR1PPARD
SCHEMBL5689292 0.93 PPARA (0.63) PPARAPPARGFFAR1PPARD
Tromethamine SCHEMBL5411518 0.93 PPARA (0.63) PPARAPPARGFFAR1PPARD
SCHEMBL5692564 0.92 PPARA (0.69) PPARAPPARGFFAR1PPARD
SCHEMBL3946462 0.92 PPARA (0.84) PPARAPPARGFFAR1PPARD
SCHEMBL5526960 0.92 PPARA (0.84) PPARAPPARGFFAR1PPARD

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458677-B1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2009-04-15 EP claimed
US-7429675-B2 Process for the preparation of racemic 2-{[2-(4-hydroxyphenyl)ethyl]thio}-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]-propanoic acid ASTRAZENECA AB (SE) 2008-09-30 US claimed
US-20080090905-A1 Amine Salts Of (-)-2-((2-(4-Hydroxyphenyl)Ethyl)Thio)-3-(4-(2-(4-((Methylsulfonyl)Oxy)Phenoxy)Ethyl)Phenyl) Propanoic Acid SNAPE EVAN W 2008-04-17 US claimed
US-7276539-B2 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2007-10-02 US claimed
EP-1828112-A1 AMINE SALTS OF (-)-2-((2-(4-HYDROXYPHENYL)ETHYL)THIO)-3-(4-(2-(4-((METHYLSULFONYL)OXY)PHENOXY)ETHYL)PHENYL)PROPANOIC ACID AstraZeneca AB (SE) 2007-09-05 EP claimed
US-20070099928-A1 Amine salts of (-)-2-{2-(4-hydroxyphenyl) ethyl]thio} -3-4-(2-{4-(methylsulfonyl) oxy phenyl propanoic acid and their use in medicine ASTRAZENECA (SE) 2007-05-03 US claimed
US-20060167309-A1 Process for the preparation of racemic 2-{[2-(4-hydroxyphenyl)ethyl]thio}-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)pheyl]-propanoic acid ASTRAZENECA AB (SE) 2006-07-27 US claimed
WO-2006064232-A1 AMINE SALTS OF (-)-2-((2-(4-HYDROXYPHENYL)ETHYL)THIO)-3-(4-(2-(4-((METHYLSULFONYL)OXY) PHENOXY)ETHYL)PHENYL) PROPANOIC ACID ASTRAZENECA AB (SE) 2006-06-22 WO claimed
EP-1641749-A1 POTASSIUM OR SODIUM SALT OF (-)-2- {'2-(4-HYDROXYPHENYL)ETHYL]-THIO -3-'4-(2- {4-'(METHYLSULFONYL)OXY ]PHENOXY }PHENYL]PROPANOIC ACID AND THEIR USE IN MEDICINE. Astrazeneca AB (SE) 2006-04-05 EP claimed
EP-1638930-A1 AMINE SALTS OF (-)-2- ¬2-(4-HYDROXYPHENYL)ETHYL|-THIO -3-¬4-(2- 4-¬(METHYLSULFONYL)OXY|PHENOXY ETHYL)PHENYL|PROPANOIC ACID AND THEIR USE IN MEDICINE. Astrazeneca AB (SE) 2006-03-29 EP claimed
EP-1638929-A1 PROCESS FOR THE PREPARATION OF RACEMIC 2- ¬2-(4-HYDROXYPHENYL)ETHYL|-THIO -3-¬4-(2- 4-¬(METHYLSULFONYL)OXY|PHENOXY ETHYL)PHENYL|PROPANOIC ACID. Astrazeneca AB (SE) 2006-03-29 EP claimed
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2005-09-29 US claimed
WO-2004113285-A1 PROCESS FOR THE PREPARATION OF RACEMIC 2-{[2-(4-HYDROXYPHENYL)ETHYL]THIO}-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENOXY}ETHYL)PHENYL]-PROPANOIC ACID ASTRAZENECA AB (SE) 2004-12-29 WO claimed
WO-2004113283-A1 AMINE SALTS OF (-)-2-{`2-(4-HYDROXYPHENYL) ETHYL!-THIO}-3-`4-(2-{4-`(METHYLSULFONYL)OXY! PHENOXY}ETHYL)PHENYL! PROPANOIC ACID AND THERE USE IN MEDICINE ASTRAZENECA AB (SE) 2004-12-29 WO claimed
WO-2004113284-A1 POTASSIUM OR SODIUM SALT OF (-)-2-{`2-(4-HYDROXYPHENYL)ETHYL!-THIO-3-`4-(2-{4-`(METHZLSULFONZL) OXY !PHENOXY}PHENYL!PROPANOIC ACID AND THEIR USE IN MEDICINE ASTRAZENECA AB (SE) 2004-12-29 WO claimed
EP-1458677-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA Astrazeneca AB (SE) 2004-09-22 EP claimed
WO-2003051826-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2003-06-26 WO claimed
US-7803586-B2 Chemical Process ASTRAZENECA AB (SE) 2010-09-28 US disclosed
EP-1458677-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA Astrazeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051826-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2003-06-26 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-20070099928-A1 Amine salts of (-)-2-{2-(4-hydroxyphenyl) ethyl]thio} -3-4-(2-{4-(methylsulfonyl) oxy phenyl propanoic acid and their use in medicine EP300, LIPC, CPT1A PPARA 131/4885PPARG 481/4885FFAR1 212/4885
US-20080090905-A1 Amine Salts Of (-)-2-((2-(4-Hydroxyphenyl)Ethyl)Thio)-3-(4-(2-(4-((Methylsulfonyl)Oxy)Phenoxy)Ethyl)Phenyl) Propanoic Acid GPR119, CPT1B, PNLIP PPARA 75/4885PPARG 554/4885FFAR1 97/4885
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885FFAR1 5/4885
US-20060167309-A1 Process for the preparation of racemic 2-{[2-(4-hydroxyphenyl)ethyl]thio}-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)pheyl]-propanoic acid HPD, PAH, HAAO PPARA 446/4885PPARG 1596/4885FFAR1 309/4885

“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.