SCHEMBL4438508

SCHEMBL4438508

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3cccc(F)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.42
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
F2 P00734 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
AKR1B1 P15121 1/20 0.39
MTNR1B P49286 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 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
SCHEMBL4433212 0.92 RXRA (0.43) PTGER2PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL4430740 0.91 LOXL2 (0.48) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4435651 0.89 PTGER2 (0.43) PTGER2PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL4428902 0.89 MMP2 (0.50) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4435673 0.87 FFAR1 (0.46) PTGER2PTGDR2PTGS1
SCHEMBL4434979 0.87 DAGLA (0.43) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4434310 0.86 THRA (0.41) PTGER2PTGDR2RXRARXRBRXRG
SCHEMBL4432426 0.86 RXRA (0.52) PTGDR2AKR1C3AKR1C2RXRARXRB
SCHEMBL4434103 0.86 FFAR1 (0.47) PTGDR2PTGS1AKR1C3AKR1C2LOXL2
SCHEMBL4430409 0.86 PIK3CA (0.44) PTGDR2PTGS1AKR1C3AKR1C2LOXL2

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 PTGER2 542/4885PTGDR2 626/4885PTGS1 582/4885

“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.