SCHEMBL5659100

SCHEMBL5659100

O=C(O)CCc1cn(S(=O)(=O)c2cccc3cccnc23)c2cc3c(cc12)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLO1 Q04760 1/20 0.39

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
SCHEMBL14605629 0.87 TSHR (0.49) MAPK1GAAHTTTSHRPPARG
SCHEMBL5658965 0.84 PPARG (0.48) MAPK1HTTTSHRLMNAPPARG
SCHEMBL5660292 0.83 PPARG (0.64) PPARGPPARDPPARA
SCHEMBL5664139 0.82 PPARG (0.53) HTTTSHRPPARGPPARDPPARA
SCHEMBL5659744 0.81 HTR6 (0.48) PKMMAPK1GAAHTTPPARG
SCHEMBL5661776 0.81 PPARG (0.48) PPARGPPARDPPARAMAPT
SCHEMBL5660994 0.80 TSHR (0.46) MAPK1GAAHTTTSHRLMNA
SCHEMBL5658856 0.80 PPARG (0.45) PPARGPPARDPPARAMAPT
SCHEMBL5660096 0.80 TSHR (0.42) MAPK1HTTTSHRPPARGPPARD
SCHEMBL5661422 0.79 PPARG (0.48) HTTPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 820/4885MAPK1 1223/4885GAA 2279/4885

“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.