SCHEMBL3030224

SCHEMBL3030224

COC(=O)C(C)(C)Cc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
HTR6 P50406 17/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL3020042 0.91 PPARG (0.57) PPARGPPARDPPARAHTR6
SCHEMBL14679549 0.91 PPARG (0.51) PPARGPPARDPPARAHTR6CYP3A4
SCHEMBL13219187 0.90 PPARG (0.66) PPARGPPARDPPARAHTR6CYP3A4
SCHEMBL3035930 0.83 PPARG (0.67) PPARGPPARDPPARAHTR6
SCHEMBL3035346 0.82 PPARG (0.81) PPARGPPARDPPARAHTR6
SCHEMBL3033276 0.81 PPARG (0.70) PPARGPPARDPPARAHTR6
SCHEMBL4559260 0.78 PPARG (0.54) PPARGPPARDPPARAHTR6
SCHEMBL13743827 0.77 HTR6 (0.52) PPARGPPARDPPARAHTR6CYP3A4
SCHEMBL13240306 0.77 HTR6 (0.52) PPARGPPARDPPARAHTR6CYP3A4
SCHEMBL13240012 0.77 HTR6 (0.68) PPARGPPARDPPARAHTR6CYP3A4

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 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
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 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 (5 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
US-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 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.