SCHEMBL5540128

SCHEMBL5540128

O=[C]OCC=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
IDO1 P14902 3/20 0.37
RPS6KA3 P51812 1/20 0.36
JAK3 P52333 1/20 0.36
PTGS1 P23219 1/20 0.34
PLAT P00750 2/20 0.34
SOD1 P00441 1/20 0.33
CES2 O00748 1/20 0.32
XPO1 O14980 1/20 0.31
TDO2 P48775 1/20 0.31
AHR P35869 1/20 0.31
FBP1 P09467 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL5543899 0.84 FBP1 (0.49) FBP1
SCHEMBL5543896 0.84 FBP1 (0.49) FBP1
SCHEMBL5546301 0.83 CYP1A2 (0.46) PTGS1AHRFBP1
SCHEMBL5546304 0.83 CYP1A2 (0.46) PTGS1AHRFBP1
SCHEMBL5545194 0.81 IDO1 (0.32) IDO1CES2
SCHEMBL5544041 0.81 GRIK1 (0.33) PPARGPPARDPPARAPLAT
SCHEMBL5545190 0.81 IDO1 (0.32) IDO1CES2
SCHEMBL2092212 0.79 PPARG (0.41) PPARGPPARDPPARAIDO1RPS6KA3
SCHEMBL2091386 0.77 RPS6KA3 (0.38) PPARGPPARDPPARAIDO1RPS6KA3
SCHEMBL5544487 0.77 BACE1 (0.36) IDO1PTGS1CES2

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-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PPARG 856/4885PPARD 555/4885PPARA 429/4885

“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.