SCHEMBL4429935

SCHEMBL4429935

CCOc1ccc(-c2cccc(S(=O)(=O)c3cccc(CC(=O)O)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.48
PPARD Q03181 2/20 0.48
RXRA P19793 3/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 1/20 0.45
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PTPN11 Q06124 1/20 0.44
SLC13A5 Q86YT5 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL5129556 0.92 FFAR1 (0.46) FFAR1PPARDRXRARXRBRXRG
SCHEMBL4439777 0.89 FFAR1 (0.44) FFAR1PPARDRXRARXRB
SCHEMBL4440857 0.88 MMP2 (0.53) FFAR1PPARDSMN1; SMN2
SCHEMBL5128717 0.87 FFAR1 (0.44) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5132323 0.87 MMP2 (0.46) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5132471 0.86 FFAR1 (0.44) FFAR1PPARDRXRARXRBRXRG
SCHEMBL4439770 0.85 FFAR1 (0.50) FFAR1PPARDPTPN11
SCHEMBL4427555 0.85 FFAR1 (0.62) FFAR1PPARDPTPN11
SCHEMBL5128335 0.85 RXRA (0.45) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5051795 0.85 RXRA (0.43) FFAR1PPARDRXRARXRBRXRG

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 5 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
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 30/4885PPARD 3/4885RXRA 13/4885

“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.