SCHEMBL5543283

SCHEMBL5543283

[O-][S+](c1ccccc1OC(F)(F)F)c1ccccc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A3 Q01959 4/20 0.33
DRD2 P14416 3/20 0.33
EPHX2 P34913 1/20 0.33
SCN9A Q15858 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL25564299 0.84 GAA (0.33) GAARXRARXRBRXRGALDH1A1
SCHEMBL8323570 0.79 KCNH2 (0.34) HSD11B1
SCHEMBL4654446 0.77 RXRA (0.47) GAARXRARXRBRXRGALDH1A1
SCHEMBL3682424 0.71 ALDH1A1 (0.39) GAAALDH1A1HSD11B1L3MBTL1POLB
SCHEMBL3139825 0.71 CA1 (0.55) ALDH1A1L3MBTL1TRPA1KDM4E
SCHEMBL7701143 0.70 ALDH1A1 (0.50) ALDH1A1HSD11B1L3MBTL1SCN9APOLB
SCHEMBL6371363 0.70 TDP1 (0.47) GAARXRARXRBRXRGALDH1A1
SCHEMBL20328481 0.69 KCNH2 (0.31)
SCHEMBL255271 0.69 EPHX2 (0.43) GAARXRARXRBRXRGALDH1A1
SCHEMBL364380 0.69 GAA (0.42) GAARXRARXRBRXRGALDH1A1

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 GAA 4165/4885RXRA 143/4885RXRB 117/4885

“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.