SCHEMBL4607560

SCHEMBL4607560

O=C(O)CCc1cn(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)c2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.43
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
MAPT P10636 1/20 0.41
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
HTR6 P50406 2/20 0.39
PLA2G4A P47712 4/20 0.38
GCGR P47871 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CTSK P43235 1/20 0.36
FFAR1 O14842 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
SCHEMBL4619063 0.93 PPARG (0.43) RORCPPARGPPARDPPARAMAPT
SCHEMBL4618320 0.92 PPARG (0.45) RORCPPARGPPARDPPARAHTR6
SCHEMBL5657953 0.91 PPARG (0.43) RORCPPARGPPARDPPARAHTR6
SCHEMBL4604926 0.90 RORC (0.48) RORCPPARGPPARDPPARAHTR6
SCHEMBL14605572 0.90 RORC (0.44) RORCPPARGPPARDPPARAHTR6
SCHEMBL4605289 0.89 PPARG (0.47) RORCPPARGPPARDPPARAHTR6
SCHEMBL4606661 0.88 PPARG (0.44) RORCPPARGPPARDPPARAHTR6
SCHEMBL4605383 0.88 PPARG (0.44) RORCPPARGPPARDPPARAHTR6
SCHEMBL4603876 0.87 PPARG (0.59) RORCPPARGPPARDPPARAHTR6
SCHEMBL5660146 0.87 PPARG (0.41) RORCPPARGPPARDPPARAAKR1A1

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 RORC 47/4885PPARG 1/4885PPARD 3/4885

“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.