SCHEMBL3940420

SCHEMBL3940420

SCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.64
EPHX2 P34913 1/20 0.64
FFAR1 O14842 2/20 0.62
FFAR4 Q5NUL3 1/20 0.62
BCHE P06276 5/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAOB P27338 3/20 0.59
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL10607043 0.84 LMNA (0.64) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL10609652 0.83 LMNA (0.75) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL339813 0.83 LMNA (0.82) LTA4HEPHX2BCHELMNACYP1A2
SCHEMBL27367676 0.83 LMNA (0.82) LTA4HEPHX2BCHELMNACYP1A2
SCHEMBL12630258 0.82 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL12040562 0.82 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL5599 0.82 LTA4H (0.66) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL566543 0.81 MAOB (0.71) LTA4HEPHX2MAOBGAAMAPT
SCHEMBL2023885 0.81 LTA4H (0.64) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL3421201 0.81 LMNA (0.85) LTA4HEPHX2FFAR1FFAR4BCHE

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
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-7276539-B2 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2007-10-02 US 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
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 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
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 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-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 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-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 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 LTA4H 1829/4885EPHX2 2458/4885FFAR1 212/4885
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 LTA4H 2282/4885EPHX2 3395/4885FFAR1 133/4885
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha PPARA, PPARG, PPARD LTA4H 1038/4885EPHX2 1968/4885FFAR1 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 LTA4H 342/4885EPHX2 17/4885FFAR1 309/4885
US-20060199857-A1 Therapeutic agents PNLIP, LIPC, GPR119 LTA4H 1267/4885EPHX2 3562/4885FFAR1 60/4885

“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.