SCHEMBL5128929

SCHEMBL5128929

CCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
FFAR1 O14842 2/20 0.39
PLA2G4B P0C869 2/20 0.39

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
SCHEMBL5126232 0.94 ALDH1A1 (0.49) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5131739 0.91 ALDH1A1 (0.46) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5132331 0.91 ALDH1A1 (0.46) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5123923 0.91 MMP2 (0.51) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5132239 0.89 ALDH1A1 (0.44) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5132431 0.89 MMP9 (0.42) ALDH1A1MMP9LMNAHTTSMN1; SMN2
SCHEMBL5132376 0.89 ALDH1A1 (0.50) ALDH1A1MMP2MMP13MMP14LMNA
SCHEMBL5128365 0.88 ALDH1A1 (0.40) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5128588 0.88 MMP2 (0.41) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL5131799 0.87 MMP2 (0.48) ALDH1A1MMP2MMP9MMP8MMP12

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 ALDH1A1 789/4885MMP2 2282/4885MMP9 2579/4885

“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.