SCHEMBL5659549

SCHEMBL5659549

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3ccccn3)s2)c2ccc(-c3cccnc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
BRAF P15056 2/20 0.37
CAPN1 P07384 5/20 0.37
ALDH1A1 P00352 1/20 0.37
PFKFB3 Q16875 1/20 0.36
BRD4 O60885 1/20 0.36
HTR6 P50406 3/20 0.35
IDE P14735 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NR4A2 P43354 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL5659461 0.93 PPARG (0.43) PPARGPPARDPPARAMMP8MMP3
SCHEMBL14572708 0.87 PPARG (0.40) PPARGPPARDPPARAMMP8MMP3
SCHEMBL5659824 0.86 HTR6 (0.48) PPARGPPARDPPARAHTR6IDE
SCHEMBL5662327 0.86 MMP8 (0.43) PPARGPPARDPPARAMMP8MMP3
SCHEMBL4606773 0.84 TBXAS1 (0.46) PPARGPPARDPPARABRAFHTR6
SCHEMBL5660649 0.84 PPARG (0.42) PPARGPPARDPPARABRAFBRD4
SCHEMBL4618343 0.83 GAA (0.42) PPARGPPARDPPARAALDH1A1IDE
SCHEMBL5667174 0.83 HTR6 (0.51) PPARGPPARDPPARAHTR6IDE
SCHEMBL5660222 0.83 PPARG (0.61) PPARGPPARDPPARAHTR6
SCHEMBL4605167 0.82 PPARG (0.49) PPARGPPARDPPARAHTR6

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 3 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
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.