SCHEMBL4604933

SCHEMBL4604933

CC(C)Oc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.57
PPARD Q03181 4/20 0.57
PPARA Q07869 4/20 0.57
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 6/20 0.47
FFAR1 O14842 1/20 0.47
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
XBP1 P17861 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4606168 0.94 PPARG (0.51) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL4606474 0.93 PPARG (0.67) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5660587 0.92 PPARG (0.58) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5660830 0.88 PPARG (0.53) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5658422 0.88 PPARG (0.54) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL14606000 0.88 SMN1; SMN2 (0.52) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5661132 0.86 PPARG (0.51) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL4606472 0.86 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL5659482 0.85 LMNA (0.49) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5659146 0.85 PPARG (0.50) PPARGPPARDPPARASMN1; SMN2ALDH1A1

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 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.