SCHEMBL4606270

SCHEMBL4606270

CCOc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
HTR6 P50406 1/20 0.51
PLA2G4A P47712 5/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
FFAR1 O14842 5/20 0.42
FFAR4 Q5NUL3 2/20 0.42
NR4A2 P43354 1/20 0.42
MMP13 P45452 3/20 0.42
MMP1 P03956 1/20 0.40

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
SCHEMBL5660710 0.93 PPARG (0.55) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4606118 0.92 LTB4R (0.47) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4606613 0.90 HTR6 (0.46) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4607890 0.90 HTR6 (0.46) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4605981 0.89 PPARG (0.62) HTR6PLA2G4APPARGPPARDPPARA
SCHEMBL4605005 0.89 PPARG (0.52) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4606105 0.89 PPARG (0.52) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL5662484 0.87 PPARG (0.50) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4620084 0.87 PPARD (0.50) LTB4RLTB4R2HTR6PLA2G4APPARG
SCHEMBL4606295 0.87 PPARG (0.52) LTB4RLTB4R2HTR6PLA2G4APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP claimed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US claimed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO claimed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD LTB4R 1958/4885LTB4R2 1732/4885HTR6 178/4885

“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.