SCHEMBL5548418

SCHEMBL5548418

[O-][S+](c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MPI P34949 1/20 0.39
XDH P47989 1/20 0.39
GPR3 P46089 2/20 0.39
GRM5 P41594 2/20 0.38
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38
DYRK1A Q13627 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CETP P11597 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL17733548 0.85 CHRM2 (0.41) KIF11CHRM2CHRM1CHRM3GPR3
SCHEMBL18122483 0.85 KIF11 (0.39) KIF11CHRM2CHRM1CHRM3MPI
SCHEMBL8321721 0.81 KIF11 (0.38) KIF11KCNH2SCN10ACETP
SCHEMBL15530289 0.81 KIF11 (0.38) KIF11SYKDYRK1AKCNH2SCN10A
SCHEMBL27793972 0.80 CHRM2 (0.38) KIF11CHRM2CHRM1CHRM3MPI
SCHEMBL5535591 0.79 GPR3 (0.35) KIF11GPR3EPHX2
SCHEMBL38654697 0.79 KIF11 (0.43) KIF11GPR3EPHX2DYRK1ACETP
SCHEMBL15530287 0.79 KMT2A (0.42) DYRK1AKCNH2SCN10A
SCHEMBL3147185 0.79 GPR3 (0.50) KIF11CHRM2CHRM1CHRM3MPI
SCHEMBL5543641 0.75 MAPT (0.42) KIF11GPR3EPHX2

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 4 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
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 KIF11 3946/4885CHRM2 862/4885CHRM1 463/4885

“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.