SCHEMBL445990

SCHEMBL445990

Cc1cn([C@H]2C[C@H](Cl)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 5/20 0.47
ADRB1 P08588 1/20 0.47
TK1 P04183 4/20 0.43
ALB P02768 2/20 0.43
DNMT3B Q9UBC3 1/20 0.42
TK2 O00142 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 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
SCHEMBL445989 1.00 DNMT1 (0.47) DNMT1ADRB1TK1ALBDNMT3B
SCHEMBL20466819 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2
SCHEMBL442302 0.87 DNMT1 (0.48) DNMT1ADRB1TK1ALBDNMT3B
SCHEMBL14450224 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2
SCHEMBL844010 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2
SCHEMBL20268 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2
SCHEMBL442301 0.87 DNMT1 (0.48) DNMT1ADRB1TK1ALBDNMT3B
SCHEMBL5953088 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2
SCHEMBL5983910 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2
SCHEMBL30616797 0.87 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BTK2

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106065-A1 Methods of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D- glucuitol compounds in combination therapy JACOB GARY S 2006-05-18 US claimed
US-20050119310-A1 Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections PHARMACIA CORPORATION 2005-06-02 US claimed
US-6689759-B1 COMBINED WITH NUCLEOSIDE AND/OR NUCLEOTIDE ANTIVIRAL AGENTS AND IMMUNOSTIMULANTS G. D. SEARLE & CO. 2004-02-10 US claimed
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 claimed
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections PHARMACIA CORPORATION 2003-10-16 US claimed
US-20030100532-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS UNITED THERAPEUTICS CORPORATION 2003-05-29 US claimed
EP-1261339-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS Pharmacia Corporation (US) 2002-12-04 EP claimed
JP-2002502875-A 2002-01-29 JP claimed
WO-2001060366-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS PHARMACIA CORPORATION (US) 2001-08-23 WO claimed
EP-1061922-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-12-27 EP claimed
WO-1999040916-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-08-19 WO claimed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
US-20130344476-A1 HEPATITIS C VIRUS VARIANTS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-26 US disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
WO-2002018369-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed
WO-2001060366-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS PHARMACIA CORPORATION (US) 2001-08-23 WO disclosed
EP-1061922-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-12-27 EP disclosed
WO-1999040916-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-08-19 WO disclosed
EP-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 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 (6 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-20030195229-A1 Glucamine salts for treating hepatitis virus infections UGGT1, GYS2, MGAT3 DNMT1 2645/4885ADRB1 456/4885TK1 235/4885
US-20030100532-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS HAVCR2, DERA, GALE DNMT1 1313/4885ADRB1 2389/4885TK1 263/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD DNMT1 4819/4885ADRB1 4015/4885TK1 1121/4885
US-20050119310-A1 Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections HAVCR2, DERA, IMPDH1 DNMT1 1522/4885ADRB1 1944/4885TK1 310/4885
US-20060106065-A1 Methods of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D- glucuitol compounds in combination therapy HAVCR2, DERA, UGGT1 DNMT1 2042/4885ADRB1 2292/4885TK1 299/4885
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 DNMT1 1899/4885ADRB1 994/4885TK1 250/4885

“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.