SCHEMBL4430409

SCHEMBL4430409

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3cnc(OC)nc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LOXL2 Q9Y4K0 4/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NAMPT P43490 1/20 0.38
F2 P00734 1/20 0.37
AKR1B1 P15121 1/20 0.37
FFAR1 O14842 1/20 0.37
P2RX3 P56373 1/20 0.37
MTNR1B P49286 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
FTO Q9C0B1 1/20 0.37
VDR P11473 1/20 0.37
PPARD Q03181 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
SCHEMBL5131714 0.90 PTGES2 (0.47) PIK3CAPTGES2CYP11B1CYP11B2LOXL2
SCHEMBL4430740 0.88 LOXL2 (0.48) LOXL2PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL4435043 0.88 PIK3CA (0.46) PIK3CAPTGES2CYP11B1CYP11B2LOXL2
SCHEMBL4438508 0.86 PTGER2 (0.46) CYP11B1CYP11B2LOXL2PTGDR2PTGS1
SCHEMBL4428902 0.86 MMP2 (0.50) CYP11B1CYP11B2LOXL2PTGDR2PTGS1
SCHEMBL4434979 0.84 DAGLA (0.43) LOXL2PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL4439777 0.83 FFAR1 (0.44) CYP11B1CYP11B2PTGDR2PTGS1AKR1C3
SCHEMBL4433212 0.83 RXRA (0.43) CYP11B1CYP11B2LOXL2PTGDR2PTGS1
SCHEMBL4430445 0.83 ACLY (0.43) CYP11B1CYP11B2LOXL2PTGDR2
SCHEMBL5131711 0.81 PIK3CA (0.44) PIK3CAPTGES2CYP11B1CYP11B2NAMPT

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 PIK3CA 958/4885PTGES2 733/4885CYP11B1 572/4885

“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.