SCHEMBL4606728

SCHEMBL4606728

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.46
RORC P51449 2/20 0.45
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
PLA2G4A P47712 2/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SERPINE1 P05121 1/20 0.39
STK17B O94768 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL5659606 0.93 HTR6 (0.47) HTR6RORCPPARGPPARDPPARA
SCHEMBL5659372 0.91 RORC (0.45) HTR6RORCPPARGPPARDPPARA
SCHEMBL4619504 0.91 HTR6 (0.44) HTR6RORCPPARGPPARDPPARA
SCHEMBL4606661 0.90 PPARG (0.44) HTR6RORCPPARGPPARDPPARA
SCHEMBL4606312 0.89 PPARG (0.57) HTR6PPARGPPARDPPARAPLA2G4A
SCHEMBL4604070 0.88 PPARG (0.47) HTR6RORCPPARGPPARDPPARA
SCHEMBL351443 0.86 RORC (0.57) HTR6RORCPPARGPPARDPPARA
SCHEMBL4619955 0.84 HTR6 (0.47) HTR6PPARGPPARDPPARA
SCHEMBL14605986 0.84 HTR6 (0.49) HTR6RORCPPARGPPARDPPARA
SCHEMBL4604122 0.83 PPARG (0.61) 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 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 HTR6 178/4885RORC 47/4885PPARG 1/4885

“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.