SCHEMBL352067

SCHEMBL352067

O=C(O)CCc1cn(S(=O)(=O)c2cccc(-c3ccc(OCc4ccccc4)cc3F)c2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
FFAR1 O14842 9/20 0.49
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
PPARD Q03181 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
RORC P51449 1/20 0.45
PTGER1 P34995 1/20 0.42
PTGER2 P43116 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL351668 0.93 HTR6 (0.53) HTR6FFAR1PTGER4PTGER3FFAR4
SCHEMBL351198 0.91 HTR6 (0.51) HTR6FFAR1PTGER4PTGER3FFAR4
SCHEMBL353079 0.91 PPARG (0.59) HTR6FFAR1FFAR4PPARDPPARG
SCHEMBL351792 0.89 PPARG (0.59) HTR6PPARDPPARGPPARARORC
SCHEMBL351921 0.86 HTR6 (0.52) HTR6PPARDPPARGPPARARORC
SCHEMBL351975 0.85 HTR6 (0.53) HTR6PPARDPPARGPPARARORC
SCHEMBL352628 0.85 HTR6 (0.57) HTR6PPARDPPARGPPARARORC
SCHEMBL351758 0.84 RORC (0.54) HTR6PPARDPPARGPPARARORC
SCHEMBL351215 0.83 PPARG (0.68) HTR6PPARDPPARGPPARA
SCHEMBL350560 0.82 PPARG (0.49) HTR6FFAR1FFAR4PPARDPPARG

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 HTR6 1985/4885FFAR1 57/4885PTGER4 196/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD HTR6 1985/4885FFAR1 57/4885PTGER4 196/4885

“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.