SCHEMBL5123371

SCHEMBL5123371

CCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccccc3OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
KAT6A Q92794 2/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
C1S P09871 1/20 0.41
PTGER4 P35408 3/20 0.40
CTSA P10619 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
SELL P14151 1/20 0.38
SELP P16109 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
SCHEMBL5132200 0.93 FFAR1 (0.48) FFAR1KAT6APTGDR2C1SPTGER4
SCHEMBL5132030 0.92 FFAR1 (0.50) FFAR1KAT6APTGDR2C1SPTGER4
SCHEMBL5126365 0.87 PTGDR2 (0.48) KAT6APTGDR2TP53MDM2
SCHEMBL5122402 0.85 MMP2 (0.44) FFAR1KAT6APTGDR2C1SPTPN11
SCHEMBL5132510 0.85 FFAR1 (0.44) FFAR1PTPN11PTGER2
SCHEMBL5126655 0.85 FFAR1 (0.49) FFAR1KAT6APTGDR2PTPN11
SCHEMBL5132506 0.83 KAT6A (0.42) FFAR1KAT6APTGDR2PTPN11
SCHEMBL5126065 0.82 FFAR1 (0.47) FFAR1TP53MDM2PTGER4CTSA
SCHEMBL5128717 0.82 FFAR1 (0.44) FFAR1KAT6APTPN11
SCHEMBL5132609 0.82 SLC13A5 (0.41) FFAR1KAT6APTGDR2PTPN11

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 57/4885KAT6A 1424/4885PTGDR2 173/4885

“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.