SCHEMBL5540656

SCHEMBL5540656

O=[C]NCCc1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
EPHX2 P34913 2/20 0.39
TRPV1 Q8NER1 3/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
STS P08842 1/20 0.34
DAO P14920 1/20 0.34
HAT1 O14929 1/20 0.33
EP300 Q09472 1/20 0.33
PPARA Q07869 2/20 0.33
FABP2 P12104 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL5546752 0.91 PPARA (0.35) LTA4HEPHX2TRPV1STSDAO
SCHEMBL5545903 0.87 EPHX2 (0.49) LTA4HEPHX2TRPV1ALDH1A1DAO
SCHEMBL5536578 0.84 EPHX2 (0.37) EPHX2ALDH1A1PPARAPPARGPTPN1
SCHEMBL5544718 0.82 CNR1 (0.43) TRPV1ALDH1A1DAOPPARAPPARG
SCHEMBL5541744 0.78 EPHX2 (0.44) LTA4HEPHX2TRPV1ALDH1A1DAO
SCHEMBL5540659 0.78 LTA4H (0.39) LTA4HEPHX2TRPV1ALDH1A1SMN1; SMN2
SCHEMBL5541847 0.76 DAO (0.35) LTA4HEPHX2DAOPPARAPPARG
SCHEMBL5537488 0.76 SLC6A5 (0.44) LTA4HEPHX2TRPV1ALDH1A1DAO
SCHEMBL5547598 0.75 PPARA (0.37) LTA4HEPHX2DAOPPARAPPARG
SCHEMBL5535468 0.75 TAAR1 (0.50) LTA4HEPHX2DAO

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 LTA4H 3452/4885EPHX2 3662/4885TRPV1 3795/4885

“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.