SCHEMBL5126232

SCHEMBL5126232

CCCOc1ccc(Oc2ccc(S(=O)(=O)c3cc(CC(=O)O)cc(OCCC)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
LTA4H P09960 1/20 0.43
PLA2G4B P0C869 2/20 0.43
FFAR1 O14842 2/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43
MMP14 P50281 2/20 0.43
MMP8 P22894 1/20 0.43
MMP16 P51512 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5132331 0.97 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5131739 0.97 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5132239 0.94 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5123923 0.94 MMP2 (0.51) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5128929 0.94 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5132376 0.94 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5128365 0.91 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5128588 0.91 MMP2 (0.41) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5129436 0.91 FFAR1 (0.42) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5131799 0.91 MMP2 (0.48) ALDH1A1LMNAL3MBTL1CA12CA1

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 789/4885LMNA 1815/4885L3MBTL1 3414/4885

“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.