SCHEMBL4899535

SCHEMBL4899535

CCC(=O)Oc1c(CCOc2ccc(OS(C)(=O)=O)cc2)cccc1SCCc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.41
PPARG P37231 5/20 0.41
PPARD Q03181 2/20 0.34
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
FFAR1 O14842 3/20 0.33
HDAC3 O15379 1/20 0.33
ESR1 P03372 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ME2 P23368 1/20 0.32
ME1 P48163 1/20 0.32
ME3 Q16798 1/20 0.32

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
SCHEMBL5689189 0.76 PPARA (0.49) PPARAPPARGPPARDFFAR1
SCHEMBL2686642 0.72 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5689292 0.68 PPARA (0.63) PPARAPPARGPPARDFFAR1
SCHEMBL3946198 0.68 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL3100628 0.68 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL13156113 0.68 PPARA (0.60) PPARAPPARGPPARDFFAR1
SCHEMBL6094837 0.68 PPARA (0.49) PPARAPPARGPPARDFFAR1
SCHEMBL3100619 0.68 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL6092849 0.68 PPARA (0.49) PPARAPPARGPPARDFFAR1
SCHEMBL3115799 0.67 PPARA (0.47) PPARAPPARGPPARDLMNAME2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 554/4885PPARD 261/4885

“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.