SCHEMBL5132471

SCHEMBL5132471

CCOc1ccc(-c2cccc(S(=O)(=O)c3cc(CC(=O)O)cc(OCCOC)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
PPARD Q03181 2/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
MMP2 P08253 3/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
FFAR4 Q5NUL3 2/20 0.39
PLA2G4B P0C869 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KAT6A Q92794 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL5129556 0.93 FFAR1 (0.46) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5128717 0.92 FFAR1 (0.44) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5122594 0.92 MMP2 (0.44) FFAR1PPARDMMP2MMP3MMP13
SCHEMBL4439777 0.90 FFAR1 (0.44) FFAR1PPARDRXRARXRBMMP2
SCHEMBL5132323 0.90 MMP2 (0.46) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5122448 0.89 FFAR1 (0.41) FFAR1MMP2MMP3MMP13KAT6A
SCHEMBL5132494 0.88 FFAR1 (0.43) FFAR1PPARDRXRAMMP2MMP3
SCHEMBL5128909 0.87 BCL2L1 (0.43) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5122402 0.86 MMP2 (0.44) FFAR1PPARDMMP2MMP3MMP13
SCHEMBL5128335 0.86 RXRA (0.45) FFAR1PPARDRXRARXRBRXRG

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 FFAR1 57/4885PPARD 3/4885RXRA 8/4885

“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.