SCHEMBL4620876

SCHEMBL4620876

CCOc1ccc2c(CCC(=O)O)cn(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n(C)n4)s3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
RORC P51449 3/20 0.40
PPARD Q03181 5/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PLA2G4A P47712 2/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTR6 P50406 1/20 0.34
SQSTM1 Q13501 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL4603901 0.94 GAA (0.49) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL4618837 0.92 GAA (0.46) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL5660612 0.86 GAA (0.49) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL4621369 0.86 PPARG (0.56) GAAPOLBL3MBTL1PPARDPPARG
SCHEMBL5659842 0.85 PPARG (0.47) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL5660558 0.85 GAA (0.47) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL4621641 0.83 GAA (0.47) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL5667195 0.83 GAA (0.46) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL4606316 0.83 GAA (0.47) GAAPOLBL3MBTL1RORCPPARD
SCHEMBL4605653 0.83 ALDH1A1 (0.45) RORCPPARDPPARGPPARAALDH1A1

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
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 GAA 2279/4885POLB 2217/4885L3MBTL1 3469/4885

“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.