SCHEMBL5129556

SCHEMBL5129556

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.46
PPARD Q03181 2/20 0.46
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 2/20 0.45
SLC13A5 Q86YT5 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL5128717 0.95 FFAR1 (0.44) FFAR1PPARDRXRARXRBRXRG
SCHEMBL4439777 0.95 FFAR1 (0.44) FFAR1PPARDRXRARXRB
SCHEMBL5132323 0.95 MMP2 (0.46) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5132471 0.93 FFAR1 (0.44) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5128335 0.93 RXRA (0.45) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5051795 0.93 RXRA (0.43) FFAR1PPARDRXRARXRBRXRG
SCHEMBL4429935 0.92 FFAR1 (0.48) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5052554 0.91 RXRA (0.47) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5050134 0.90 RXRA (0.55) FFAR1PPARDRXRARXRBRXRG
SCHEMBL5128881 0.87 FFAR1 (0.42) 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.