SCHEMBL691544

SCHEMBL691544

CC(C)(C)c1ccc(CNC(=O)c2nnc(-c3ccc(NS(=O)(=O)C(F)(F)F)cc3)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
PPARG P37231 2/20 0.54
PPARD Q03181 1/20 0.53
EPHX2 P34913 3/20 0.51
NR1H4 Q96RI1 2/20 0.51
MAPK14 Q16539 1/20 0.45
TRPV1 Q8NER1 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
SCHEMBL691309 0.89 EPHX2 (0.48) PPARAPPARGPPARDEPHX2NR1H4
SCHEMBL12131777 0.89 EPHX2 (0.51) PPARAPPARGEPHX2NR1H4MAPK14
SCHEMBL692005 0.84 PPARA (0.49) PPARAPPARGPPARDMAPK14
SCHEMBL9611048 0.79 TP53 (0.49) PPARAPPARGPPARDMAPK14
SCHEMBL9611055 0.78 MAPK1 (0.52) PPARAPPARG
SCHEMBL692348 0.75 MEN1 (0.49) EPHX2NR1H4MAPK14
SCHEMBL691959 0.75 MAPK14 (0.44) PPARAPPARGPPARDMAPK14
SCHEMBL692879 0.74 CA1 (0.61) PPARA
SCHEMBL4661419 0.73 HSPD1 (0.62) PPARAPPARG
SCHEMBL28919381 0.72 CACNA1B (0.56) EPHX2NR1H4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560643-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2013-02-27 EP claimed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US claimed
EP-2421528-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2012-02-29 EP claimed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US claimed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO claimed
EP-2560643-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2013-02-27 EP disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
EP-2421528-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2012-02-29 EP disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US disclosed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 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 (2 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-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 PPARA 1464/4885PPARG 1207/4885PPARD 582/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 PPARA 2817/4885PPARG 2778/4885PPARD 2624/4885

“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.