SCHEMBL5535591

SCHEMBL5535591

[O-][S+](c1cc(OC(F)(F)F)cc(OC(F)(F)F)c1)c1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.35
KIF11 P52732 1/20 0.31
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CES1 P23141 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
SCHEMBL5548418 0.79 KIF11 (0.41) GPR3KIF11EPHX2
SCHEMBL5543641 0.77 MAPT (0.42) GPR3KIF11MAPTEPHX2FFAR4
SCHEMBL2091561 0.72 GPR3 (0.41) GPR3KIF11MAPTEPHX2CES1
SCHEMBL24156049 0.71 PGR (0.37)
SCHEMBL7929169 0.70 MAPT (0.41) MAPTEPHX2
SCHEMBL18122483 0.69 KIF11 (0.39) GPR3KIF11
SCHEMBL17733548 0.69 CHRM2 (0.41) GPR3KIF11CES1
SCHEMBL816372 0.69 MAPT (0.52) GPR3KIF11MAPTEPHX2
SCHEMBL12160006 0.69 PGR (0.39) GPR3KIF11MAPTEPHX2CES1
SCHEMBL1048346 0.69 ALDH1A1 (0.58) GPR3FFAR4

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 GPR3 80/4885KIF11 3946/4885MAPT 4117/4885

“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.