SCHEMBL3104768

SCHEMBL3104768

COC(=O)C(Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)SCCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.61
PPARG P37231 9/20 0.61
PPARD Q03181 3/20 0.42
FFAR1 O14842 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6092840 1.00 PPARA (0.61) PPARAPPARGPPARDFFAR1ESR1
SCHEMBL3115791 1.00 PPARA (0.61) PPARAPPARGPPARDFFAR1ESR1
SCHEMBL6091611 0.93 PPARA (0.54) PPARAPPARGPPARDFFAR1
SCHEMBL14064975 0.93 PPARA (0.62) PPARAPPARGPPARDFFAR1
SCHEMBL3947028 0.92 PPARA (0.72) PPARAPPARGPPARDFFAR1
SCHEMBL3938267 0.91 PPARA (0.61) PPARAPPARGFFAR1
SCHEMBL3100619 0.90 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL3946198 0.90 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL13156113 0.90 PPARA (0.60) PPARAPPARGPPARDFFAR1
SCHEMBL3100628 0.90 PPARA (0.71) PPARAPPARGPPARDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803586-B2 Chemical Process ASTRAZENECA AB (SE) 2010-09-28 US disclosed
EP-1458677-B1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2009-04-15 EP disclosed
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 disclosed
US-20080115247-A1 Chemical Process ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-7276539-B2 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2007-10-02 US disclosed
EP-1828394-A2 CHEMICAL PROCESS AstraZeneca AB (SE) 2007-09-05 EP disclosed
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 disclosed
US-20070099997-A1 Potassium or sodium salt of (-)-2-{'2-(4-hydroxyphenyl) ethyl!-thio-3-'4-(2-{4-'(methylsulfonyl) oxy! phenoxy}ethyl) phenyl! propanoic acid and their use in medicine ASTRAZENECA (SE) 2007-05-03 US disclosed
US-20060199857-A1 Therapeutic agents ASTRAZENECA UK LIMITED (GB) 2006-09-07 US disclosed
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 disclosed
WO-2006064213-A2 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
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 disclosed
EP-1638927-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2006-03-29 EP disclosed
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2005-09-29 US disclosed
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 disclosed
WO-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 WO 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 (5 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 481/4885PPARD 458/4885
US-20070099997-A1 Potassium or sodium salt of (-)-2-{'2-(4-hydroxyphenyl) ethyl!-thio-3-'4-(2-{4-'(methylsulfonyl) oxy! phenoxy}ethyl) phenyl! propanoic acid and their use in medicine SLC5A2, KCNN2, SLC5A1 PPARA 30/4885PPARG 131/4885PPARD 158/4885
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885PPARD 3/4885
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 1596/4885PPARD 1087/4885
US-20060199857-A1 Therapeutic agents PNLIP, LIPC, GPR119 PPARA 27/4885PPARG 38/4885PPARD 73/4885

“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.