SCHEMBL5132376

SCHEMBL5132376

CCCCOc1ccc(S(=O)(=O)c2cc(CC(=O)O)cc(OCCC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PLA2G4B P0C869 3/20 0.49
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA7 P43166 2/20 0.46
TSHR P16473 1/20 0.46
FFAR1 O14842 1/20 0.44
PTPN11 Q06124 1/20 0.43
CTRC Q99895 1/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43

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) ALDH1A1PLA2G4BTHRATHRBLMNA
SCHEMBL5131736 0.92 ALDH1A1 (0.51) ALDH1A1PLA2G4BTHRATHRBLMNA
SCHEMBL5131799 0.92 MMP2 (0.48) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL5051566 0.92 MMP2 (0.48) ALDH1A1PLA2G4BTHRATHRBLMNA
SCHEMBL5132171 0.91 PLA2G4B (0.50) ALDH1A1PLA2G4BTHRATHRBLMNA
SCHEMBL5131739 0.91 ALDH1A1 (0.46) ALDH1A1PLA2G4BLMNAL3MBTL1CA12
SCHEMBL5132331 0.91 ALDH1A1 (0.46) ALDH1A1PLA2G4BLMNAL3MBTL1CA12
SCHEMBL5132532 0.89 KAT6A (0.43) ALDH1A1PLA2G4BTHRATHRBLMNA
SCHEMBL5132239 0.89 ALDH1A1 (0.44) ALDH1A1PLA2G4BLMNAL3MBTL1CA12
SCHEMBL14605697 0.89 LTA4H (0.50) ALDH1A1PLA2G4BTHRATHRBL3MBTL1

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 789/4885PLA2G4B 664/4885THRA 228/4885

“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.