SCHEMBL351583

SCHEMBL351583

O=C(O)CCc1cn(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3F)c2)c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
HTR6 P50406 11/20 0.46
RORC P51449 2/20 0.44
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
IDE P14735 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
PLA2G4A P47712 2/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL350794 0.96 PPARG (0.46) PPARGPPARDPPARAHTR6RORC
SCHEMBL351203 0.95 PPARG (0.48) PPARGPPARDPPARAHTR6RORC
SCHEMBL351386 0.94 PPARG (0.50) PPARGPPARDPPARAHTR6RORC
SCHEMBL350584 0.93 PPARG (0.46) PPARGPPARDPPARAHTR6RORC
SCHEMBL352071 0.91 PPARG (0.47) PPARGPPARDPPARAHTR6RORC
SCHEMBL351767 0.91 PPARG (0.46) PPARGPPARDPPARAHTR6RORC
SCHEMBL352628 0.91 HTR6 (0.57) PPARGPPARDPPARAHTR6RORC
SCHEMBL351483 0.90 PPARG (0.48) PPARGPPARDPPARAHTR6RORC
SCHEMBL352253 0.90 HTR6 (0.50) PPARGPPARDPPARAHTR6RORC
SCHEMBL352671 0.90 PPARG (0.47) PPARGPPARDPPARAHTR6RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015966-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2012-01-19 US disclosed
US-20120015966-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2012-01-19 US disclosed
US-20120015966-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2012-01-19 US disclosed
US-8053463-B2 e.g. {3-butoxy-5-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-phenyl}-acetic acid; peroxisome proliferator activated receptor modulator; antidiabetic agent; obesity, hyperlipidemia, dyslipidemia, hypertriglyceridemia, Syndrome X, insulin resistance, diabetic neuropathy, atherosclerosis, eczema PLEXXIKON INC. (US) 2011-11-08 US disclosed
US-8053463-B2 e.g. {3-butoxy-5-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-phenyl}-acetic acid; peroxisome proliferator activated receptor modulator; antidiabetic agent; obesity, hyperlipidemia, dyslipidemia, hypertriglyceridemia, Syndrome X, insulin resistance, diabetic neuropathy, atherosclerosis, eczema PLEXXIKON INC. (US) 2011-11-08 US disclosed
US-8053463-B2 e.g. {3-butoxy-5-[4-(4-trifluoromethoxy-phenoxy)-benzenesulfonyl]-phenyl}-acetic acid; peroxisome proliferator activated receptor modulator; antidiabetic agent; obesity, hyperlipidemia, dyslipidemia, hypertriglyceridemia, Syndrome X, insulin resistance, diabetic neuropathy, atherosclerosis, eczema PLEXXIKON INC. (US) 2011-11-08 US disclosed
EP-2114879-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-11 EP disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
WO-2008109700-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 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 (2 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-20120015966-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 2/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS 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.