SCHEMBL350797

SCHEMBL350797

Cc1c(-c2ccc(C(F)(F)F)cc2)cccc1S(=O)(=O)n1cc(CCC(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.49
RORC P51449 2/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FABP4 P15090 2/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
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
SCHEMBL351530 0.89 RORC (0.45) HTR6RORCFFAR1FFAR4PPARG
SCHEMBL352994 0.89 PPARG (0.48) HTR6RORCFFAR1FFAR4FABP4
SCHEMBL350600 0.89 PPARG (0.43) HTR6RORCFFAR1FFAR4PPARG
SCHEMBL4604361 0.80 PPARG (0.62) HTR6FFAR1FFAR4PPARGPPARD
SCHEMBL5662441 0.80 RORC (0.57) HTR6RORCPPARGPPARDPPARA
SCHEMBL349823 0.80 PPARG (0.51) HTR6RORCFFAR1FFAR4PPARG
SCHEMBL351444 0.79 PPARG (0.44) HTR6RORCFFAR4PPARGPPARD
SCHEMBL5659273 0.79 PPARG (0.51) HTR6RORCFFAR1FFAR4PPARG
SCHEMBL351469 0.79 PPARG (0.51) HTR6RORCFFAR1FFAR4PPARG
SCHEMBL5662529 0.76 HTR6 (0.61) HTR6RORCPPARGPPARDPPARA

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 10 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
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 1985/4885RORC 84/4885FFAR1 57/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD HTR6 1985/4885RORC 84/4885FFAR1 57/4885

“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.