SCHEMBL4609264

SCHEMBL4609264

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
TAAR1 Q96RJ0 1/20 0.50
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
MIF P14174 1/20 0.46
FDFT1 P37268 2/20 0.45
MAOB P27338 1/20 0.44
DAO P14920 5/20 0.42
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3245715 0.98 HDAC1 (0.51) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL3244842 0.94 TAAR1 (0.52) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2702138 0.86 TAAR1 (0.55) HDAC1HDAC8TAAR1MIFFDFT1
SCHEMBL5539490 0.86 PTPN2 (0.45) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5543449 0.84 PTPN2 (0.44) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5535935 0.80 PTPN2 (0.42) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5541662 0.80 DAO (0.41) HDAC1HDAC8DAOIDO1
SCHEMBL18243485 0.79 HDAC1 (0.57) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5538115 0.79 TAAR1 (0.45) TAAR1MAOB
SCHEMBL5536424 0.77 HDAC1 (0.49) HDAC1HDAC8TAAR1PTPN2PTPN1

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 HDAC1 322/4885HDAC8 993/4885TAAR1 364/4885
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections UGGT1, GYS2, MGAT3 HDAC1 2495/4885HDAC8 3370/4885TAAR1 870/4885
US-20060264468-A1 Use of substituted-1, 5-dideoxy-1, 5-imino-D-glucitol compounds for treating hepatitis virus infections IMPDH1, HAVCR2, DERA HDAC1 1590/4885HDAC8 2528/4885TAAR1 2855/4885
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 HDAC1 2217/4885HDAC8 2231/4885TAAR1 2403/4885

“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.