SCHEMBL4439770

SCHEMBL4439770

CCOc1ccc(-c2cccc(S(=O)(=O)c3cccc(CC(=O)O)c3)c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.50
PTPN11 Q06124 1/20 0.48
PPARD Q03181 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SUCNR1 Q9BXA5 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
SCHEMBL4427555 0.88 FFAR1 (0.62) FFAR1PTPN11PPARDFFAR4
SCHEMBL4429935 0.85 FFAR1 (0.48) FFAR1PTPN11PPARD
SCHEMBL4432446 0.84 FFAR1 (0.52) FFAR1PTPN11PPARDPPARGPPARA
SCHEMBL4433405 0.82 PTGDR2 (0.43) FFAR1PPARG
SCHEMBL4440053 0.82 SUCNR1 (0.50) FFAR1SUCNR1
SCHEMBL5129556 0.78 FFAR1 (0.46) FFAR1PPARD
SCHEMBL4434928 0.78 FFAR1 (0.54) FFAR1PPARDFFAR4
SCHEMBL4430126 0.77 FFAR1 (0.50) FFAR1PTPN11PPARD
SCHEMBL4440857 0.76 MMP2 (0.53) FFAR1PPARD
SCHEMBL5132323 0.76 MMP2 (0.46) FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US 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 (1 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD FFAR1 30/4885PTPN11 1568/4885PPARD 3/4885

“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.