SCHEMBL4603948

SCHEMBL4603948

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3ccon3)s2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.43
MMP3 P08254 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
PFKFB3 Q16875 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
HTR6 P50406 4/20 0.38
BRD4 O60885 1/20 0.37
NR1H2 P55055 1/20 0.37
PLA2G4A P47712 4/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL5659461 0.86 PPARG (0.43) MMP8MMP3PPARGPPARDPPARA
SCHEMBL4617796 0.83 KDM4E (0.43) PPARGPPARDPPARAPFKFB3ALDH1A1
SCHEMBL5661105 0.82 GAA (0.45) PPARGPPARDPPARAALDH1A1POLB
SCHEMBL5659549 0.80 PPARG (0.40) MMP8MMP3PPARGPPARDPPARA
SCHEMBL5661426 0.79 HTR6 (0.59) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL14572708 0.78 PPARG (0.40) MMP8MMP3PPARGPPARDPPARA
SCHEMBL4606980 0.78 PPARG (0.45) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL4618320 0.78 PPARG (0.45) PPARGPPARDPPARAHTR6PLA2G4A
SCHEMBL3029775 0.77 PPARG (0.62) PPARGPPARDPPARAHTR6BRD4
SCHEMBL4605467 0.76 PPARG (0.47) MMP8MMP3PPARGPPARDPPARA

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-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
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 MMP8 3238/4885MMP3 1632/4885PPARG 1/4885

“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.