SCHEMBL4605451

SCHEMBL4605451

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
PLA2G4A P47712 6/20 0.40
HTR6 P50406 4/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
PTGDR Q13258 2/20 0.39
RORC P51449 1/20 0.39
TBXA2R P21731 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39

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
SCHEMBL4605383 0.94 PPARG (0.44) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4605467 0.94 PPARG (0.47) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4620612 0.93 PPARG (0.44) PPARGPPARDPPARAAKR1C3AKR1C2
SCHEMBL4605289 0.92 PPARG (0.47) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4618613 0.92 PPARG (0.42) PPARGPPARDPPARAAKR1C3AKR1C2
SCHEMBL4607359 0.92 PPARG (0.42) PPARGPPARDPPARAAKR1C3AKR1C2
SCHEMBL5661379 0.91 PPARG (0.43) PPARGPPARDPPARAAKR1C3AKR1C2
SCHEMBL5657953 0.91 PPARG (0.43) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4606690 0.91 PPARG (0.44) PPARGPPARDPPARAAKR1C3AKR1C2
SCHEMBL4606637 0.90 RORC (0.45) PPARGPPARDPPARAPLA2G4AHTR6

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.