SCHEMBL4430445

SCHEMBL4430445

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
MMP16 P51512 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL4434979 0.92 DAGLA (0.43) ACLYLOXL2PTGDR2THRATHRB
SCHEMBL4428902 0.92 MMP2 (0.50) MMP1MMP2MMP3MMP9MMP8
SCHEMBL4430740 0.92 LOXL2 (0.48) ACLYMMP1MMP2MMP3MMP9
SCHEMBL4434310 0.90 THRA (0.41) ACLYMMP1MMP2MMP3MMP9
SCHEMBL5051795 0.89 RXRA (0.43) PTGDR2THRBRXRARXRBRXRG
SCHEMBL4433212 0.89 RXRA (0.43) MMP1MMP2MMP3MMP9MMP8
SCHEMBL5122448 0.89 FFAR1 (0.41) ACLYMMP2MMP3MMP13PTGDR2
SCHEMBL5132609 0.88 SLC13A5 (0.41) ACLYPTGDR2
SCHEMBL4439777 0.87 FFAR1 (0.44) MMP1MMP2MMP3MMP9MMP8
SCHEMBL4433408 0.87 SUCNR1 (0.44) PTGDR2THRATHRB

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 ACLY 151/4885MMP1 1922/4885MMP2 2866/4885

“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.