SCHEMBL4609982

SCHEMBL4609982

O=[C]CCCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
EPHX2 P34913 3/20 0.40
LTA4H P09960 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GRM2 Q14416 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FFAR1 O14842 2/20 0.37
ACACB O00763 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL5546116 0.98 DAO (0.43) DAOGPR84EPHX2LTA4HSLC6A5
SCHEMBL5537169 0.95 DAO (0.46) DAOGPR84EPHX2LTA4HSLC6A5
SCHEMBL5544520 0.88 DAO (0.48) DAOGPR84EPHX2LTA4HSLC6A4
SCHEMBL5547598 0.87 PPARA (0.37) DAOGPR84EPHX2LTA4HSLC6A5
SCHEMBL5547968 0.86 PPARA (0.36) DAOGPR84SLC6A5PPARA
SCHEMBL2094916 0.80 DAO (0.42) DAOGPR84EPHX2LTA4HSLC6A5
SCHEMBL11391326 0.79 DAO (0.43) DAOGPR84EPHX2LTA4HSLC6A5
SCHEMBL1044875 0.79 DAO (0.47) DAOGPR84EPHX2LTA4HSLC6A5
SCHEMBL19993379 0.79 DAO (0.45) DAOGPR84EPHX2LTA4HSLC6A4
SCHEMBL22621150 0.79 DAO (0.45) DAOGPR84EPHX2LTA4HSLC6A4

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 17 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
EP-1658846-B1 N-(8,8,8-trifluorooctyl)-1,5-dideoxy-1,5-imino-D-glucitol for treating hepatitis virus infections UNITED THERAPEUTICS CORP (US) 2008-07-30 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-20060264468-A1 Use of substituted-1, 5-dideoxy-1, 5-imino-D-glucitol compounds for treating hepatitis virus infections UNITED THERAPEUTICS CORPORATION 2006-11-23 US disclosed
EP-1658846-A1 Substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections G.D. SEARLE & CO. (US) 2006-05-24 EP 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
US-6747149-B2 ADMINISTERING VIRICIDES SUCH AS N-NONENYL GLUCOSAMINE, AND OPTIONALLY WITH MIXTURES OF NUCLEOSIDES, NUCLEOTIDES, IMMUNOMODULATORS OR IMMUNOSTIMULANTS FOR PROPHYLAXIS VIRAL DISEASES G. D. SEARLE & CO. 2004-06-08 US disclosed
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants G.D. SEARLE & CO. 2003-11-27 US disclosed
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections PHARMACIA CORPORATION 2003-10-16 US disclosed
US-6545021-B1 Including ether and ester derivatives as well as N-carbonyl derivatives G.D. SEARLE & CO. 2003-04-08 US disclosed
US-6515028-B1 Used alone, or in combination with another antiviral agents selected from among nucleosides, nucleotides, immunomodulators, immunostimulants or various combinations of such other agents G.D. SEARLE & CO. 2003-02-04 US disclosed
EP-1173161-A2 GLUCAMINE COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2002-01-23 EP disclosed
EP-1165080-A2 USE OF SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2002-01-02 EP disclosed
WO-2001008672-A2 GLUCAMINE COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2001-02-08 WO disclosed
WO-2000047198-A2 USE OF SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-08-17 WO 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 DAO 1115/4885GPR84 318/4885EPHX2 3662/4885
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections UGGT1, GYS2, MGAT3 DAO 602/4885GPR84 302/4885EPHX2 4638/4885
US-20060264468-A1 Use of substituted-1, 5-dideoxy-1, 5-imino-D-glucitol compounds for treating hepatitis virus infections IMPDH1, HAVCR2, DERA DAO 130/4885GPR84 2214/4885EPHX2 2877/4885
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants IMPDH1, HAVCR2, IMPDH2 DAO 278/4885GPR84 2466/4885EPHX2 2105/4885

“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.