SCHEMBL3901614

SCHEMBL3901614

CCOc1[c]c(OCCc2ccc(OS(C)(=O)=O)cc2)ccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
F2 P00734 1/20 0.36
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7861194 0.84 PTGS2 (0.41) PPARAPPARGCA12CA1CA2
SCHEMBL7208021 0.83 PPARA (0.42) PPARAPPARGPPARDCA12CA1
SCHEMBL7853435 0.81 PPARA (0.39) PPARAPPARGCA1CA2CA7
SCHEMBL7211561 0.81 CACNA1F (0.46) KDM4E
SCHEMBL7858920 0.80 PPARA (0.53) PPARAPPARGPPARDCA12CA1
SCHEMBL6053157 0.78 L3MBTL1 (0.39) PPARGCA12CA1CA2CA9
SCHEMBL7860273 0.77 ESR1 (0.39) CA2KDM4EADORA3SIGMAR1
SCHEMBL7858929 0.75 SLC6A4 (0.36)
SCHEMBL2686642 0.75 PPARA (0.52) PPARAPPARGPPARDCA12CA1
SCHEMBL13156122 0.73 PPARA (0.57) PPARAPPARGPPARDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515984-B1 PEPTIDE DERIVATIVES COMPRISING THIAZEPINE GROUP FOR THE TREATMENT OF HYPERLIPIDEMIC CONDITIONS ALBIREO AB (SE) 2009-03-04 EP claimed
WO-2007093747-A2 USE OF TESAGLITIZAR FOR PREPARING A PHARMACEUTICAL COMPOSITION FOR TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-23 WO claimed
WO-2007093747-A2 USE OF TESAGLITIZAR FOR PREPARING A PHARMACEUTICAL COMPOSITION FOR TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-23 WO disclosed
EP-1404309-B1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL| PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYL AMINOPHENYL) ETHOXY| PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND A BIGUANIDE DRUG ASTRAZENECA AB (SE) 2006-08-23 EP disclosed
EP-1404309-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYL AMINOPHENYL) ETHOXY] PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND A BIGUANIDE DRUG AstraZeneca AB (SE) 2004-04-07 EP disclosed
EP-1401485-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY)PHENYL] PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYLAMINO PHENYL) ETHOXY] PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND INSULIN AstraZeneca AB (SE) 2004-03-31 EP disclosed
EP-1399166-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID OR 3- 4- 2-(4-TERT- BUTOXY CARBONYL AMINOPHENYL) ETHOXY] PHENYL -(s)-2-ETHOXY PROPANOIC ACID AND A SULONYLUREA AstraZeneca AB (SE) 2004-03-24 EP disclosed
EP-1237855-B1 CRYSTALLINE FORM OF (S)-2 ETHOXY-3- 4-(2- 4-METHANESULFONYLOXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2004-03-10 EP disclosed
EP-1237854-B1 COMMINUTED FORM OF (S)-2-ETHOXY -3- 4-(2- 4-METHANESULFONYLOXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6531622-B1 Insulin Resistance Syndrome; metabolic disorders; crystallization ASTRAZENECA AB (SE) 2003-03-11 US disclosed
EP-1237854-A1 COMMINUTED FORM OF (S)-2-ETHOXY -3- 4-(2- 4-METHANESULFONYLOXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040171-A1 CRYSTALLINE FORM OF (S)-2 ETHOXY-3-[4-(2-{4-METHANESULFONYLOXYPHENYL} ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
WO-2001040169-A1 COMMINUTED FORM OF (S)-2-ETHOXY -3-[4-(2- {4-METHANESULFONYLOXYPHENYL} ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
WO-2001040169-A1 COMMINUTED FORM OF (S)-2-ETHOXY -3-[4-(2- {4-METHANESULFONYLOXYPHENYL} ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
WO-2001040171-A1 CRYSTALLINE FORM OF (S)-2 ETHOXY-3-[4-(2-{4-METHANESULFONYLOXYPHENYL} ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-1084103-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) AstraZeneca AB (SE) 2001-03-21 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999062872-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) ASTRAZENECA AB (SE) 1999-12-09 WO disclosed