SCHEMBL5659381

SCHEMBL5659381

O=C(O)CCc1cn(S(=O)(=O)c2ccccc2C(F)(F)F)c2ccc(-c3ccsc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
RORC P51449 3/20 0.41
HTR6 P50406 5/20 0.36
PLA2G4A P47712 5/20 0.35
IDE P14735 1/20 0.35
NR4A2 P43354 1/20 0.35
ICMT O60725 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL5659609 0.87 PPARG (0.42) PPARGPPARDPPARARORCHTR6
SCHEMBL5661685 0.86 PPARG (0.46) PPARGPPARDPPARARORCHTR6
SCHEMBL5659105 0.86 HTR6 (0.47) PPARGPPARDPPARARORCHTR6
SCHEMBL4605473 0.86 PPARG (0.44) PPARGPPARDPPARARORCHTR6
SCHEMBL3030940 0.85 PPARG (0.55) PPARGPPARDPPARARORCHTR6
SCHEMBL4605439 0.83 PPARG (0.46) PPARGPPARDPPARARORCHTR6
SCHEMBL5660752 0.83 PPARG (0.44) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL5661380 0.83 PPARG (0.42) PPARGPPARDPPARARORCHTR6
SCHEMBL5659444 0.83 PPARG (0.45) PPARGPPARDPPARARORCHTR6
SCHEMBL5666808 0.80 PPARG (0.46) PPARGPPARDPPARARORCHTR6

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 4 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
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.