SCHEMBL4607890

SCHEMBL4607890

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3ccc(OCc4ccccc4)cc3)s2)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
NR4A2 P43354 1/20 0.43
FFAR1 O14842 8/20 0.42
FFAR4 Q5NUL3 5/20 0.42
PLA2G4A P47712 4/20 0.41
MCL1 Q07820 1/20 0.41
AKR1B1 P15121 1/20 0.40

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
SCHEMBL4606613 0.90 HTR6 (0.46) HTR6PPARGPPARDPPARAPTGER4
SCHEMBL4606521 0.90 PPARG (0.40) HTR6PPARGPPARDPPARAPTGER4
SCHEMBL4606270 0.90 LTB4R (0.52) HTR6PPARGPPARDPPARAPTGER4
SCHEMBL4604332 0.89 PPARG (0.49) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4605289 0.88 PPARG (0.47) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4618320 0.85 PPARG (0.45) HTR6PPARGPPARDPPARAFFAR1
SCHEMBL4605383 0.85 PPARG (0.44) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4606105 0.84 PPARG (0.52) HTR6PPARGPPARDPPARALTB4R
SCHEMBL4605982 0.84 PPARG (0.63) HTR6PPARGPPARDPPARA
SCHEMBL4606060 0.84 PPARG (0.46) HTR6PPARGPPARDPPARAPLA2G4A

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-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD HTR6 178/4885PPARG 1/4885PPARD 3/4885

“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.