SCHEMBL4809865

SCHEMBL4809865

CCOc1ccc2c(CCC(=O)OC)cn(S(=O)(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
HTR6 P50406 13/20 0.45
RORC P51449 2/20 0.41
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL4605296 0.91 PPARG (0.55) PPARGPPARDPPARAHTR6RORC
SCHEMBL5660043 0.84 PPARG (0.65) PPARGPPARDPPARAHTR6
SCHEMBL4620882 0.83 PPARG (0.68) PPARGPPARDPPARAHTR6
SCHEMBL3037016 0.82 PPARG (0.70) PPARGPPARDPPARAHTR6
SCHEMBL4679540 0.81 PPARG (0.54) PPARGPPARDPPARAHTR6RORC
SCHEMBL4605066 0.80 PPARG (0.55) PPARGPPARDPPARAHTR6RORC
SCHEMBL5659835 0.80 PPARG (0.72) PPARGPPARDPPARAHTR6
SCHEMBL5659482 0.79 LMNA (0.49) PPARGPPARDPPARARORC
SCHEMBL4603915 0.79 PPARG (0.55) PPARGPPARDPPARAHTR6RORC
SCHEMBL4604754 0.78 PPARG (0.54) PPARGPPARDPPARAHTR6RORC

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 4 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
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.