SCHEMBL4432996

SCHEMBL4432996

COc1ccc(-c2cccc(S(=O)(=O)c3cccc(CC(=O)O)c3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.48
PIK3CA P42336 2/20 0.47
CTSA P10619 1/20 0.47
NAMPT P43490 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 1/20 0.42
OXTR P30559 4/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL4435043 0.91 PIK3CA (0.46) HSD17B1HSD17B2PTGES2PIK3CACTSA
SCHEMBL5131711 0.88 PIK3CA (0.44) HSD17B1HSD17B2PTGES2PIK3CACTSA
SCHEMBL5129378 0.86 PIK3CA (0.42) HSD17B1HSD17B2PTGES2PIK3CACTSA
SCHEMBL5129232 0.86 PIK3CA (0.42) HSD17B1HSD17B2PTGES2PIK3CACTSA
SCHEMBL5131714 0.86 PTGES2 (0.47) PTGES2PIK3CANAMPTPTPN11CYP11B1
SCHEMBL4440857 0.82 MMP2 (0.53) LMNACYP11B1CYP11B2TAS2R14
SCHEMBL4441540 0.82 HSD17B1 (0.51) HSD17B1HSD17B2CTSALMNANPC1
SCHEMBL4428876 0.79 ABCC4 (0.51) NAMPTLMNA
SCHEMBL4427578 0.79 NR1H4 (0.46) NAMPTMEN1KMT2APTPN11
SCHEMBL4429935 0.78 FFAR1 (0.48) PKMPTPN11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD HSD17B1 269/4885HSD17B2 478/4885PTGES2 733/4885

“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.