SCHEMBL5132200

SCHEMBL5132200

COCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccccc3OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
KAT6A Q92794 1/20 0.46
PTGER4 P35408 3/20 0.42
C1S P09871 1/20 0.41
CTSA P10619 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTPN5 P54829 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5123371 0.93 FFAR1 (0.48) FFAR1KAT6APTGER4C1SCTSA
SCHEMBL5132030 0.90 FFAR1 (0.50) FFAR1KAT6APTGER4C1SCTSA
SCHEMBL5122594 0.85 MMP2 (0.44) FFAR1KAT6APTGER4C1SPTGDR2
SCHEMBL5122448 0.83 FFAR1 (0.41) FFAR1KAT6APTGDR2NR1H4
SCHEMBL5129463 0.82 FFAR1 (0.47) FFAR1PTGER4CTSAPTGER1PTGER3
SCHEMBL5132471 0.82 FFAR1 (0.44) FFAR1KAT6ALMNAMAPK1L3MBTL1
SCHEMBL5129232 0.81 PIK3CA (0.42) FFAR1CTSALMNA
SCHEMBL5129174 0.81 PTGDR2 (0.43) FFAR1PTGDR2HTT
SCHEMBL5128909 0.80 BCL2L1 (0.43) FFAR1PTGDR2
SCHEMBL5128710 0.80 NAMPT (0.42) FFAR1

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 1424/4885PTGER4 196/4885

“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.