SCHEMBL5536115

SCHEMBL5536115

[CH2]c1ccccc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CETP P11597 1/20 0.39
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38
BRAF P15056 3/20 0.38
CTSC P53634 1/20 0.38
KIF11 P52732 2/20 0.38
GPR3 P46089 1/20 0.37
F10 P00742 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL5540166 0.90 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SLC22A12EPHX2
SCHEMBL5543406 0.87 MAPT (0.35) SLC6A2SLC6A4SLC6A3CETPBRAF
SCHEMBL5547961 0.84 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3EPHX2KIF11
SCHEMBL2094927 0.80 L3MBTL1 (0.49) KIF11
SCHEMBL9588339 0.80 AR (0.50) SLC6A2SLC6A4SLC6A3CETPEPHX2
SCHEMBL31120714 0.80 GAA (0.58) SLC6A2SLC6A4SLC6A3BRAFKIF11
SCHEMBL9588245 0.79 AR (0.49) SLC6A2SLC6A4SLC6A3CETPEPHX2
SCHEMBL5542862 0.78 PNLIP (0.43) SLC6A2SLC6A4SLC6A3CTSCKIF11
SCHEMBL5670014 0.78 CETP (0.54) CETPKIF11MAPK14
SCHEMBL3147185 0.78 GPR3 (0.50) SLC22A12CETPEPHX2KIF11GPR3

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
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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 SLC6A2 3396/4885SLC6A4 4191/4885SLC6A3 1944/4885

“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.