SCHEMBL4476844

SCHEMBL4476844

COc1ccc2c(c1)c(SCC(=O)O)cn2S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
PPARD Q03181 6/20 0.53
PPARA Q07869 6/20 0.53
HTR6 P50406 12/20 0.46
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1E P28566 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL13865486 0.91 PPARG (0.48) PPARGPPARDPPARAHTR6
SCHEMBL4487054 0.90 PPARG (0.65) PPARGPPARDPPARAHTR6CYP1A2
SCHEMBL3035346 0.81 PPARG (0.81) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4559260 0.81 PPARG (0.54) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4478083 0.78 PPARG (0.55) PPARGPPARDPPARAHTR6KDM4E
SCHEMBL3020042 0.78 PPARG (0.57) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3019379 0.77 PPARG (0.49) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3019374 0.77 PPARG (0.49) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3035930 0.77 PPARG (0.67) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL3030224 0.75 PPARG (0.54) PPARGPPARDPPARAHTR6

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
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
EP-1819673-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-08-22 EP disclosed
WO-2006060456-A2 INDOLE DERIVATIVES FOR USE AS PPAR PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 WO disclosed
US-20060116416-A1 PPAR active compounds PLEXXIKON, INC 2006-06-01 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-20060116416-A1 PPAR active compounds 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.