SCHEMBL539241

SCHEMBL539241

COc1ccc(-c2ccc(CC(N)C(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
TPH1 P17752 2/20 0.53
SLC6A4 P31645 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GPR142 Q7Z601 1/20 0.48
KIF11 P52732 1/20 0.48
ACACB O00763 1/20 0.48
MAOB P27338 1/20 0.47
CIT O14578 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
DPP4 P27487 1/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL539240 1.00 LDHA (0.54) LDHATPH1SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL540602 0.98 TPH1 (0.54) LDHATPH1SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL540603 0.98 TPH1 (0.54) LDHATPH1SLC6A4CYP1A2CYP2D6
SCHEMBL1311287 0.95 LDHA (0.59) LDHATPH1SLC6A4CYP1A2CYP2D6
SCHEMBL7250996 0.95 LDHA (0.59) LDHATPH1SLC6A4CYP1A2CYP2D6
SCHEMBL1309076 0.95 LDHA (0.59) LDHATPH1SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7301098 0.94 LDHA (0.57) LDHATPH1SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5934840 0.94 LDHA (0.57) LDHATPH1SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5934842 0.94 LDHA (0.57) LDHATPH1SLC6A4CYP1A2CYP2D6
Iodide SCHEMBL28191565 0.92 LDHA (0.56) LDHATPH1SLC6A4CYP1A2CYP2D6

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 25 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
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-20130317015-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2013-11-28 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 (8 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 LDHA 946/4885TPH1 1862/4885SLC6A4 3076/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 LDHA 3184/4885TPH1 485/4885SLC6A4 3405/4885
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC LDHA 807/4885TPH1 1506/4885SLC6A4 2674/4885
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 LDHA 3080/4885TPH1 870/4885SLC6A4 3206/4885
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC LDHA 807/4885TPH1 1506/4885SLC6A4 2674/4885
US-20130317015-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC LDHA 821/4885TPH1 1362/4885SLC6A4 2375/4885
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC LDHA 807/4885TPH1 1506/4885SLC6A4 2674/4885
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, GPR119, OTC LDHA 821/4885TPH1 1362/4885SLC6A4 2375/4885

“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.