SCHEMBL4606773

SCHEMBL4606773

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.46
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
HTR6 P50406 3/20 0.40
PLA2G4A P47712 4/20 0.38
KMT2A Q03164 1/20 0.38
BRAF P15056 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CNR1 P21554 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TACR1 P25103 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
SCHEMBL4604170 0.91 PPARG (0.43) TBXAS1PPARGPPARDPPARAHTR6
SCHEMBL4619831 0.90 PPARG (0.44) TBXAS1PPARGPPARDPPARAHTR6
SCHEMBL5660649 0.90 PPARG (0.42) TBXAS1PPARGPPARDPPARAHTR6
SCHEMBL4618320 0.89 PPARG (0.45) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4605289 0.88 PPARG (0.47) TBXAS1PPARGPPARDPPARAHTR6
SCHEMBL5662211 0.87 PPARG (0.60) PPARGPPARDPPARAHTR6
SCHEMBL4606060 0.87 PPARG (0.46) TBXAS1PPARGPPARDPPARAHTR6
SCHEMBL5657953 0.87 PPARG (0.43) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL5659824 0.86 HTR6 (0.48) TBXAS1PPARGPPARDPPARAHTR6
SCHEMBL4605167 0.86 PPARG (0.49) PPARGPPARDPPARAHTR6PLA2G4A

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 TBXAS1 557/4885PPARG 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.