SCHEMBL353079

SCHEMBL353079

COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cccc(-c2ccc(OCc3ccccc3)cc2F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.59
PPARD Q03181 3/20 0.59
PPARA Q07869 3/20 0.59
HTR6 P50406 13/20 0.55
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
FFAR1 O14842 3/20 0.48
FFAR4 Q5NUL3 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL351215 0.93 PPARG (0.68) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL351668 0.92 HTR6 (0.53) PPARGPPARDPPARAHTR6FFAR1
SCHEMBL352067 0.91 HTR6 (0.51) PPARGPPARDPPARAHTR6FFAR1
SCHEMBL351198 0.91 HTR6 (0.51) PPARGPPARDPPARAHTR6FFAR1
SCHEMBL351796 0.89 PPARG (0.65) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL352959 0.89 PPARG (0.62) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL350511 0.89 PPARG (0.67) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL351792 0.89 PPARG (0.59) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL352521 0.88 PPARG (0.63) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL352241 0.88 PPARG (0.61) 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 9 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
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
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.