SCHEMBL3939992

SCHEMBL3939992

COC(=O)C(Cl)Cc1ccc(CCOc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.59
FFAR1 O14842 8/20 0.54
FFAR4 Q5NUL3 2/20 0.54
PPARG P37231 5/20 0.51
PPARA Q07869 4/20 0.49
PPARD Q03181 2/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
LAP3 P28838 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAOB P27338 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4393180 0.93 LTA4H (0.67) LTA4HFFAR1FFAR4PPARGPPARA
SCHEMBL5689720 0.91 LTA4H (0.51) LTA4HFFAR1PPARGPPARAPPARD
SCHEMBL3938329 0.88 ESR1 (0.49) LTA4HFFAR1PPARGPPARAPPARD
SCHEMBL4755481 0.87 LTA4H (0.54) LTA4HPPARGPPARAPPARDMAOB
SCHEMBL7492211 0.81 L3MBTL1 (0.64) LTA4HFFAR1FFAR4PPARGPPARA
SCHEMBL1123147 0.81 GAA (0.71) LTA4HPPARGMMP9MMP8RAB9A
SCHEMBL3941341 0.81 PPARA (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL5690301 0.81 PPARG (0.43) LTA4HFFAR1PPARGPPARAPPARD
SCHEMBL6940318 0.81 PPARA (0.67) LTA4HFFAR1FFAR4PPARGPPARA
SCHEMBL3204956 0.80 ATM (0.53) MMP8LAP3NPC1RAB9A

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 13 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-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
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-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 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 LTA4H 1829/4885FFAR1 212/4885FFAR4 288/4885
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha PPARA, PPARG, PPARD LTA4H 1038/4885FFAR1 5/4885FFAR4 8/4885
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 342/4885FFAR1 309/4885FFAR4 124/4885
US-20060199857-A1 Therapeutic agents PNLIP, LIPC, GPR119 LTA4H 1267/4885FFAR1 60/4885FFAR4 57/4885

“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.