SCHEMBL5537438

SCHEMBL5537438

O=COCc1cc(OC(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
FFAR4 Q5NUL3 4/20 0.37
GPR3 P46089 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 1/20 0.35
MGLL Q99685 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL2091849 0.80 TRPV1 (0.41) MAOBAOC3FFAR4GPR3MRGPRX4
SCHEMBL2090205 0.79 GRIN2B (0.42) GAASLC6A4SLC6A2SLC6A3HCRTR1
SCHEMBL5537434 0.78 MRGPRX4 (0.38) GPR3MRGPRX4KIF11KDM4ECRHBP
SCHEMBL5547653 0.76 GPR84 (0.32) MAOBAOC3MRGPRX4GPR84CHRM2
SCHEMBL351974 0.75 GPR84 (0.46) MAOBAOC3MRGPRX4GPR84SLC6A4
SCHEMBL16952941 0.75 GPR3 (0.42) MAOBAOC3FFAR4GPR3MRGPRX4
SCHEMBL5536099 0.75 PPARD (0.42) MAOBAOC3FFAR4GPR3KIF11
SCHEMBL2095988 0.73 CHRM2 (0.55) MAOBFFAR4MRGPRX4CHRM2CHRM1
SCHEMBL28072757 0.73 AURKA (0.46) MAOBAOC3KIF11GPR84KMT2A
SCHEMBL2091596 0.72 IDO1 (0.62) AOC3

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 MAOB 2140/4885AOC3 259/4885FFAR4 338/4885

“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.