SCHEMBL4606179

SCHEMBL4606179

CSc1ccc(-c2ccc(S(=O)(=O)n3cc(CCC(=O)O)c4cc(F)ccc43)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
RORC P51449 2/20 0.38
PLA2G4A P47712 3/20 0.36
HTR6 P50406 8/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
BRD4 O60885 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL4605467 0.92 PPARG (0.47) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL5661277 0.90 PPARG (0.44) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL4605451 0.88 PPARG (0.44) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL4606001 0.88 PPARG (0.61) PPARGPPARDPPARAHTR6HTR7
SCHEMBL4606637 0.88 RORC (0.45) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL4606980 0.87 PPARG (0.45) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL4604278 0.86 PPARG (0.44) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL4606690 0.86 PPARG (0.44) PPARGPPARDPPARARORCPLA2G4A
SCHEMBL5662484 0.86 PPARG (0.50) PPARGPPARDPPARAPLA2G4AHTR6
SCHEMBL4605192 0.86 PPARG (0.49) PPARGPPARDPPARARORCPLA2G4A

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 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
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
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 1/4885PPARD 3/4885PPARA 2/4885

“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.