SCHEMBL921822

SCHEMBL921822

FC(F)(F)Oc1ccc(Oc2c[c]ccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
LTA4H P09960 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NR3C1 P04150 1/20 0.38
FAAH O00519 1/20 0.38
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP14 P50281 1/20 0.36
MAPT P10636 2/20 0.36
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
MAPK14 Q16539 1/20 0.35
CETP P11597 1/20 0.35
MMP3 P08254 1/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8685 0.87 GPR3 (0.34) EPHX2SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2097644 0.86 LTA4H (0.31) LTA4HTSHR
SCHEMBL922225 0.86 CETP (0.39) MAPTSCN9AMAPK14CETPMEN1
SCHEMBL28046395 0.85 GPR3 (0.33) EPHX2MAPTCETPTSHRMEN1
SCHEMBL2091856 0.82 LTA4H (0.35) LTA4HSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL921675 0.82 MAPK14 (0.41) EPHX2LTA4HNR3C1KCNH2SCN5A
SCHEMBL2091545 0.81 GPR3 (0.35) SLC6A2SLC6A4SLC6A3MAPK14GPR3
SCHEMBL28072263 0.81 LTA4H (0.55) LTA4HTSHRMEN1KMT2A
SCHEMBL8155454 0.80 LTA4H (0.43) LTA4HMAPTTSHRMEN1ALDH1A1
SCHEMBL157734 0.79 SOS1 (0.40) EPHX2LTA4HNR3C1TSHRMEN1

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 12 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-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US 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 (4 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 EPHX2 3662/4885LTA4H 3452/4885SLC6A2 3396/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 EPHX2 3522/4885LTA4H 3410/4885SLC6A2 3667/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 EPHX2 3060/4885LTA4H 561/4885SLC6A2 2922/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 EPHX2 2953/4885LTA4H 3981/4885SLC6A2 3159/4885

“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.