SCHEMBL351598

SCHEMBL351598

Cc1cccc2c(CCC(=O)O)cn(S(=O)(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.51
HTR6 P50406 1/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
BRD4 O60885 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 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
SCHEMBL350222 0.89 RORC (0.51) RORCHTR6PPARGPPARDPPARA
SCHEMBL352038 0.89 PPARD (0.48) RORCHTR6PPARGPPARDPPARA
SCHEMBL5662441 0.87 RORC (0.57) RORCHTR6PPARGPPARDPPARA
SCHEMBL352478 0.83 RORC (0.57) RORCHTR6PPARGPPARDPPARA
SCHEMBL352591 0.82 RORC (0.53) RORCHTR6PPARGPPARDPPARA
SCHEMBL4606109 0.81 PPARG (0.67) RORCHTR6PPARGPPARDPPARA
SCHEMBL352923 0.80 RORC (0.61) RORCHTR6PPARGPPARDPPARA
SCHEMBL351908 0.78 RORC (0.48) RORCHTR6PPARGPPARDPPARA
SCHEMBL5660166 0.78 HTR6 (0.53) RORCHTR6
SCHEMBL351630 0.78 HTR6 (0.57) RORCHTR6PPARGPPARDPPARA

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 RORC 84/4885HTR6 1985/4885PPARG 1/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD RORC 84/4885HTR6 1985/4885PPARG 1/4885

“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.