SCHEMBL5129131

SCHEMBL5129131

COCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2ccc(Oc3ccc(OC)c(OC)c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
MMP9 P14780 1/20 0.42
CA5A P35218 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.39
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL5128767 0.92 MMP2 (0.42) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5122670 0.91 MMP2 (0.51) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5130098 0.90 MMP2 (0.43) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5128543 0.87 MMP2 (0.48) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5123329 0.87 ALDH1A1 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5132239 0.87 ALDH1A1 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5126777 0.86 CA5A (0.39) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5126727 0.86 MCL1 (0.41) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5132463 0.85 PARP15 (0.41) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5123951 0.85 MMP2 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD MMP2 2282/4885MMP8 1388/4885MMP12 1426/4885

“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.