SCHEMBL4430740

SCHEMBL4430740

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.48
MMP2 P08253 2/20 0.46
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 2/20 0.46
MMP16 P51512 2/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
KAT6A Q92794 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
RXRA P19793 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
SCHEMBL4428902 0.95 MMP2 (0.50) LOXL2MMP2MMP8MMP12MMP13
SCHEMBL4430445 0.92 ACLY (0.43) LOXL2MMP2MMP8MMP12MMP13
SCHEMBL4433212 0.92 RXRA (0.43) LOXL2MMP2MMP8MMP12MMP13
SCHEMBL4434979 0.91 DAGLA (0.43) LOXL2PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL4438508 0.91 PTGER2 (0.46) LOXL2MMP2MMP8MMP12MMP13
SCHEMBL4439777 0.90 FFAR1 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5132191 0.89 RXRA (0.54) MMP2MMP8MMP12MMP13MMP14
SCHEMBL4430009 0.88 RXRA (0.45) LOXL2MMP2MMP8MMP12MMP13
SCHEMBL4434103 0.88 FFAR1 (0.47) LOXL2MMP2MMP8MMP12MMP13
SCHEMBL5132323 0.88 MMP2 (0.46) MMP2MMP8MMP12MMP13MMP14

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 LOXL2 1008/4885MMP2 2866/4885MMP8 2304/4885

“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.