SCHEMBL5659824

SCHEMBL5659824

O=C(O)CCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccc(-c3cccnc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.48
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TBXAS1 P24557 1/20 0.39
ESR1 P03372 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KRAS P01116 1/20 0.36

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
SCHEMBL5667174 0.89 HTR6 (0.51) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL4606773 0.86 TBXAS1 (0.46) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL5659549 0.86 PPARG (0.40) HTR6PPARGPPARDPPARANR4A2
SCHEMBL5659462 0.84 HTR6 (0.47) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL5659642 0.83 PPARG (0.49) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL5658760 0.83 HTR6 (0.48) HTR6PPARGPPARDPPARANR4A2
SCHEMBL4620031 0.83 PPARG (0.44) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL5660649 0.82 PPARG (0.42) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL5664174 0.82 PPARG (0.44) HTR6PPARGPPARDPPARATBXAS1
SCHEMBL5662327 0.81 MMP8 (0.43) HTR6PPARGPPARDPPARANR4A2

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
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.