SCHEMBL539374

SCHEMBL539374

COC(=O)C(Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.62
CTSK P43235 10/20 0.62
CTSB P07858 4/20 0.54
CTSL P07711 2/20 0.54
PTPN1 P18031 1/20 0.53
KLK5 Q9Y337 1/20 0.51
NLRP3 Q96P20 1/20 0.51
BCL2 P10415 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 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
SCHEMBL539373 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL2617261 0.96 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL16935712 0.96 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18920552 0.96 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL31524193 0.90 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3498722 0.89 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3498720 0.89 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL10081604 0.88 CTSS (0.56) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL9886038 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL23419674 0.87 CTSS (0.56) CTSSCTSKCTSBCTSLPTPN1

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 CTSS 4491/4885CTSK 4430/4885CTSB 4003/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 CTSS 4204/4885CTSK 3733/4885CTSB 3915/4885
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC CTSS 4226/4885CTSK 4139/4885CTSB 3237/4885
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 CTSS 4623/4885CTSK 4396/4885CTSB 4059/4885
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC CTSS 4226/4885CTSK 4139/4885CTSB 3237/4885
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC CTSS 4226/4885CTSK 4139/4885CTSB 3237/4885
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, GPR119, OTC CTSS 4229/4885CTSK 4128/4885CTSB 3146/4885

“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.