SCHEMBL539738

SCHEMBL539738

COC(=O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.54
HDAC8 Q9BY41 12/20 0.41
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL12849136 1.00 PTPN1 (0.54) PTPN1HDAC8NR1H2NR1H3
SCHEMBL539175 0.88 PTPN1 (0.64) PTPN1HDAC8NR1H2NR1H3
SCHEMBL540060 0.88 PTPN1 (0.64) PTPN1HDAC8NR1H2NR1H3
SCHEMBL1151768 0.86 PTPN1 (0.40) PTPN1
SCHEMBL23329941 0.82 PTPN1 (0.58) PTPN1HDAC8NR1H2NR1H3
SCHEMBL1151985 0.82 PTPN1 (0.58) PTPN1HDAC8NR1H2NR1H3
SCHEMBL539676 0.82 PTPN1 (0.58) PTPN1HDAC8NR1H2NR1H3
SCHEMBL12798666 0.82 MAPT (0.39) PTPN1
SCHEMBL6392086 0.82 PTPN1 (0.63) PTPN1HDAC8
SCHEMBL16739181 0.80 PTPN1 (0.51) PTPN1HDAC8NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262364-B1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES VTV THERAPEUTICS LLC (US) 2016-03-02 EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-9120813-B2 Oxadiazoanthracene compounds for the treatment of diabetes VTV THERAPEUTICS LLC (US) 2015-09-01 US disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes VTV THERAPEUTICS LLC 2015-03-26 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-8933222-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, LLC (US) 2015-01-13 US disclosed
US-20140187769-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes TRANSTECH PHARMA, LLC (US) 2014-07-03 US disclosed
US-8703766-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, LLC (US) 2014-04-22 US disclosed
US-7906507-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2011-03-15 US disclosed
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-02-17 US disclosed
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2010-12-23 US disclosed
EP-2262364-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TransTech Pharma, Inc (US) 2010-12-22 EP disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 WO disclosed
US-7790714-B2 treating non-insulin dependent diabetes comprising administering a glucagon-like peptide receptor modulators such as (S)-2-({(S)-6-benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid TRANSTECH PHARMA, INC. (US) 2010-09-07 US disclosed
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2010-08-05 US disclosed
US-7727983-B2 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability TRANSTECH PHARMA, INC. (US) 2010-06-01 US disclosed
US-20090306063-A1 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability TRANS TECH. PHARMA. INC. (US) 2009-12-10 US disclosed
WO-2009111700-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2009-09-11 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 (7 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-20140187769-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, INSR, GPR119 PTPN1 1998/4885HDAC8 1749/4885NR1H2 422/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 PTPN1 534/4885HDAC8 695/4885NR1H2 599/4885
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC PTPN1 1406/4885HDAC8 1362/4885NR1H2 198/4885
US-20090306063-A1 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability GLP1R, GIPR, GCGR PTPN1 1032/4885HDAC8 2412/4885NR1H2 395/4885
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC PTPN1 1406/4885HDAC8 1362/4885NR1H2 198/4885
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC PTPN1 1406/4885HDAC8 1362/4885NR1H2 198/4885
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, GPR119, OTC PTPN1 1603/4885HDAC8 1482/4885NR1H2 229/4885

“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.