SCHEMBL4606563

SCHEMBL4606563

CN(C)c1cccc(-c2ccc(S(=O)(=O)n3cc(CCC(=O)O)c4cc(Cl)ccc43)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
CNR1 P21554 1/20 0.41
HTR6 P50406 12/20 0.39
PLA2G4A P47712 4/20 0.37
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
HTR1F P30939 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4618320 0.90 PPARG (0.45) PPARGPPARDPPARACNR1HTR6
SCHEMBL4604838 0.90 PPARG (0.42) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4620432 0.89 PPARG (0.58) PPARGPPARDPPARAHTR6HSD17B1
SCHEMBL5657953 0.88 PPARG (0.43) PPARGPPARDPPARACNR1HTR6
SCHEMBL4605289 0.88 PPARG (0.47) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL5660191 0.87 PPARG (0.48) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4607560 0.86 RORC (0.43) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4606060 0.85 PPARG (0.46) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4619063 0.84 PPARG (0.43) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4605383 0.84 PPARG (0.44) PPARGPPARDPPARAHTR6PLA2G4A

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 6 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
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.