SCHEMBL4605528

SCHEMBL4605528

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3cn[nH]c3)s2)c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
PLA2G4A P47712 3/20 0.36
RORC P51449 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
BRD4 O60885 1/20 0.34
HTR6 P50406 5/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
INSR P06213 3/20 0.32
ITK Q08881 3/20 0.32
PTGDR Q13258 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
SCHEMBL5659472 0.90 PPARG (0.44) PPARGPPARDPPARAPLA2G4ABRD4
SCHEMBL4605868 0.88 PPARG (0.60) PPARGPPARDPPARAHTR6HTR7
SCHEMBL4605467 0.87 PPARG (0.47) PPARGPPARDPPARAPLA2G4ARORC
SCHEMBL4605403 0.87 PPARG (0.43) PPARGPPARDPPARAPLA2G4ARORC
SCHEMBL4604314 0.87 PPARG (0.49) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4604278 0.86 PPARG (0.44) PPARGPPARDPPARAPLA2G4ARORC
SCHEMBL5660649 0.85 PPARG (0.42) PPARGPPARDPPARAPLA2G4ARORC
SCHEMBL4606980 0.85 PPARG (0.45) PPARGPPARDPPARAPLA2G4ARORC
SCHEMBL4604230 0.85 PPARG (0.49) PPARGPPARDPPARAPLA2G4ARORC
SCHEMBL5661014 0.84 PPARG (0.44) PPARGPPARDPPARAPLA2G4ARORC

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 PPARG 1/4885PPARD 3/4885PPARA 2/4885

“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.