SCHEMBL4478083

SCHEMBL4478083

CCOC(=O)CSc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.55
PPARD Q03181 4/20 0.55
PPARA Q07869 4/20 0.55
HTR6 P50406 14/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS2 P35354 1/20 0.45

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
SCHEMBL4487054 0.87 PPARG (0.65) PPARGPPARDPPARAHTR6KDM4E
SCHEMBL13865486 0.81 PPARG (0.48) PPARGPPARDPPARAHTR6ALDH1A1
SCHEMBL4476844 0.78 PPARG (0.53) PPARGPPARDPPARAHTR6KDM4E
SCHEMBL5326101 0.78 HTR6 (0.68) PPARGPPARDPPARAHTR6
SCHEMBL5329599 0.78 HTR6 (0.53) PPARGPPARDPPARAHTR6
SCHEMBL4619062 0.76 PPARG (0.55) PPARGPPARDPPARAHTR6
SCHEMBL4619058 0.76 PPARG (0.55) PPARGPPARDPPARAHTR6
SCHEMBL5327662 0.76 HTR6 (0.70) PPARGPPARDPPARAHTR6
SCHEMBL4620361 0.73 PPARG (0.52) PPARGPPARDPPARAHTR6ALDH1A1
SCHEMBL950479 0.73 PPARG (0.73) 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 6 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
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.