SCHEMBL4618299

SCHEMBL4618299

CCOc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
PPARA Q07869 4/20 0.49
PPARD Q03181 3/20 0.49
RORC P51449 2/20 0.44
ICMT O60725 1/20 0.42
PLA2G4A P47712 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
FFAR1 O14842 2/20 0.39
HTR6 P50406 5/20 0.38
FFAR4 Q5NUL3 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
MMP13 P45452 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
SCHEMBL4620084 0.94 PPARD (0.50) PPARGPPARAPPARDRORCICMT
SCHEMBL4603876 0.92 PPARG (0.59) PPARGPPARAPPARDRORCAKR1C3
SCHEMBL4606154 0.91 PPARG (0.49) PPARGPPARAPPARDRORCPLA2G4A
SCHEMBL4604070 0.91 PPARG (0.47) PPARGPPARAPPARDRORCICMT
SCHEMBL5660710 0.90 PPARG (0.55) PPARGPPARAPPARDPLA2G4ALTB4R
SCHEMBL4604370 0.90 PPARG (0.49) PPARGPPARAPPARDICMTPLA2G4A
SCHEMBL4605005 0.89 PPARG (0.52) PPARGPPARAPPARDRORCPLA2G4A
SCHEMBL5660191 0.88 PPARG (0.48) PPARGPPARAPPARDPLA2G4ALTB4R
SCHEMBL5661029 0.87 PPARG (0.50) PPARGPPARAPPARDRORCPLA2G4A
SCHEMBL4606105 0.87 PPARG (0.52) PPARGPPARAPPARDPLA2G4ALTB4R

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 4 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 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
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO 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 PPARG 1/4885PPARA 2/4885PPARD 3/4885

“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.