SCHEMBL4605653

SCHEMBL4605653

CCOc1ccc2c(CCC(=O)O)cn(S(=O)(=O)c3ccc(-c4ccccn4)s3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
PLA2G4A P47712 2/20 0.41
HTR6 P50406 3/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
SQSTM1 Q13501 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
IL1RN P18510 2/20 0.38
ERAP2 Q6P179 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PFKFB3 Q16875 1/20 0.37
CAPN1 P07384 1/20 0.37
GHSR Q92847 1/20 0.36
RORC P51449 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
SCHEMBL4604117 0.93 PPARG (0.51) ALDH1A1PPARGPPARDPPARAPLA2G4A
SCHEMBL5660222 0.86 PPARG (0.61) PPARGPPARDPPARAHTR6
SCHEMBL4605967 0.85 PPARG (0.51) ALDH1A1PPARGPPARDPPARAPLA2G4A
SCHEMBL5658842 0.85 MMP8 (0.43) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL5662245 0.85 PPARG (0.46) ALDH1A1PPARGPPARDPPARAPLA2G4A
SCHEMBL5662157 0.83 HTR6 (0.49) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4620876 0.83 GAA (0.49) ALDH1A1PPARGPPARDPPARAPLA2G4A
SCHEMBL5661144 0.81 MMP8 (0.43) ALDH1A1PPARGPPARDPPARAHTR6
SCHEMBL5659461 0.81 PPARG (0.43) ALDH1A1PPARGPPARDPPARAHTR6
SCHEMBL4606295 0.81 PPARG (0.52) 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 ALDH1A1 277/4885PPARG 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.