SCHEMBL5129232

SCHEMBL5129232

COCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccc(OC)nc3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
CTSA P10619 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
NAMPT P43490 2/20 0.40
FFAR1 O14842 1/20 0.39
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
OXTR P30559 2/20 0.38
FAAH O00519 4/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5129378 0.93 PIK3CA (0.42) PIK3CACTSAPTGES2HSD17B1HSD17B2
SCHEMBL4435043 0.92 PIK3CA (0.46) PIK3CACTSAPTGES2HSD17B1HSD17B2
SCHEMBL5131711 0.91 PIK3CA (0.44) PIK3CACTSAPTGES2HSD17B1HSD17B2
SCHEMBL5122594 0.88 MMP2 (0.44) FFAR1CYP11B1CYP11B2
SCHEMBL4432996 0.86 HSD17B1 (0.49) PIK3CACTSAPTGES2HSD17B1HSD17B2
SCHEMBL5122448 0.85 FFAR1 (0.41) FFAR1
SCHEMBL5128710 0.84 NAMPT (0.42) NAMPTFFAR1
SCHEMBL5132471 0.84 FFAR1 (0.44) FFAR1LMNA
SCHEMBL5129394 0.83 FFAR4 (0.49) CTSAHSD17B1HSD17B2FFAR1CHEK1
SCHEMBL5128909 0.83 BCL2L1 (0.43) 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 PIK3CA 1347/4885CTSA 722/4885PTGES2 187/4885

“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.