Sugi Predict

Sugi Predict / Compounds / SCHEMBL4604694

SCHEMBL4604694

SCHEMBL4604694

COc1ccc(-c2ccc(S(=O)(=O)n3cc(CCC(=O)O)c4cc(F)ccc43)s2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.49
▸ PPARD Q03181 6/20 0.49
▸ PPARA Q07869 6/20 0.49
▸ PLA2G4A P47712 4/20 0.43
▸ HTR6 P50406 5/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ PTGDR Q13258 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
SCHEMBL5661541 0.95 PPARG (0.49) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4605474 0.91 PPARG (0.62) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL5659803 0.90 PPARG (0.49) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL14605985 0.89 HTR6 (0.52) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4605467 0.88 PPARG (0.47) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4607231 0.88 PPARG (0.54) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4604082 0.87 PPARG (0.60) PPARGPPARDPPARAHTR6
SCHEMBL4604230 0.87 PPARG (0.49) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4606690 0.87 PPARG (0.44) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4606836 0.87 PPARG (0.48) 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 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.