SCHEMBL5661997

SCHEMBL5661997

CCOc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.60
PPARG P37231 2/20 0.57
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
PLA2G4A P47712 4/20 0.50
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
SQSTM1 Q13501 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5661342 0.92 HTR6 (0.51) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL5662010 0.90 HTR6 (0.74) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5661984 0.89 PPARG (0.58) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL5659644 0.89 HTR6 (0.60) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4604353 0.87 PPARG (0.52) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL3029648 0.87 PPARG (0.72) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4604991 0.87 PPARG (0.56) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL3039734 0.85 PPARG (0.66) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL5661740 0.84 PPARG (0.53) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4605139 0.84 PPARG (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.