SCHEMBL3025949

SCHEMBL3025949

COc1ccc(S(=O)(=O)n2cc(C=CC(=O)O)c3cc(OC)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.60
PPARD Q03181 5/20 0.60
PPARA Q07869 5/20 0.60
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HTR6 P50406 12/20 0.53
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR1D P28221 1/20 0.48

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
SCHEMBL5488257 1.00 PPARG (0.60) PPARGPPARDPPARACA2CA9
SCHEMBL5661436 1.00 PPARG (0.60) PPARGPPARDPPARACA2CA9
SCHEMBL4928139 0.92 PPARG (0.54) PPARGPPARDPPARACA2CA9
SCHEMBL13219205 0.90 PPARG (0.52) PPARGPPARDPPARACA2CA9
SCHEMBL3019374 0.90 PPARG (0.49) PPARGPPARDPPARACA2CA9
SCHEMBL3019379 0.90 PPARG (0.49) PPARGPPARDPPARACA2CA9
SCHEMBL13219201 0.88 PPARG (0.53) PPARGPPARDPPARACA2CA9
SCHEMBL4619062 0.86 PPARG (0.55) PPARGPPARDPPARACA2CA9
SCHEMBL4619058 0.86 PPARG (0.55) PPARGPPARDPPARACA2CA9
SCHEMBL3035871 0.83 HTR6 (0.59) PPARGPPARDPPARAHTR6HTR1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 US disclosed
US-7476746-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-01-13 US disclosed
EP-1648867-A4 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2008-07-23 EP disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US disclosed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 US disclosed
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2008-02-21 US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 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-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 (8 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
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-20080045581-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
US-20070155818-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.