SCHEMBL5546752

SCHEMBL5546752

O=[C]NCCCc1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
LTA4H P09960 1/20 0.34
EPHX2 P34913 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
DAO P14920 1/20 0.33
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 1/20 0.32
BCHE P06276 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PTPN1 P18031 1/20 0.31
STS P08842 1/20 0.31

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
SCHEMBL5540656 0.91 LTA4H (0.39) PPARALTA4HEPHX2TRPV1DAO
SCHEMBL5541744 0.88 EPHX2 (0.44) PPARALTA4HEPHX2TRPV1SLC6A5
SCHEMBL5545572 0.83 MTNR1A (0.41) PPARADAOBCHE
SCHEMBL5537488 0.82 SLC6A5 (0.44) LTA4HEPHX2TRPV1SLC6A5DAO
SCHEMBL5536578 0.81 EPHX2 (0.37) PPARAEPHX2PTPN1
SCHEMBL5539748 0.80 PPARG (0.41) PPARATRPV1DAO
SCHEMBL5546757 0.79 SLC6A5 (0.37) PPARALTA4HEPHX2TRPV1SLC6A5
SCHEMBL5547598 0.79 PPARA (0.37) PPARALTA4HEPHX2SLC6A5DAO
SCHEMBL5545903 0.78 EPHX2 (0.49) LTA4HEPHX2TRPV1SLC6A5DAO
SCHEMBL5547968 0.78 PPARA (0.36) PPARASLC6A5DAOGPR84PTPN1

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 PPARA 429/4885LTA4H 3452/4885EPHX2 3662/4885

“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.