Sugi Predict

Sugi Predict / Compounds / SCHEMBL539261

SCHEMBL539261

SCHEMBL539261

COC(=O)[C@@H](N)Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.52
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CTSC P53634 1/20 0.46
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MME P08473 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43

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
SCHEMBL539262 1.00 ROCK2 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
Hydrochloric Acid SCHEMBL539617 0.98 ROCK2 (0.51) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
Hydrochloric Acid SCHEMBL539618 0.98 ROCK2 (0.51) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
SCHEMBL2734777 0.95 SLC6A2 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
SCHEMBL1473553 0.95 SLC6A2 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
SCHEMBL241905 0.95 SLC6A2 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
Hydrochloric Acid SCHEMBL241904 0.94 ALDH1A1 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
Hydrochloric Acid SCHEMBL1473550 0.94 ALDH1A1 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
Hydrochloric Acid SCHEMBL1168261 0.94 ALDH1A1 (0.52) ROCK2SLC6A2SLC6A3ALDH1A1CTSC
Hydrochloric Acid SCHEMBL9584126 0.87 FPR2 (0.54) ALDH1A1SLC6A4PTGS2CYP1A2CYP2D6

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 ROCK2 2680/4885SLC6A2 3502/4885SLC6A3 1882/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 ROCK2 2668/4885SLC6A2 3928/4885SLC6A3 3703/4885
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC ROCK2 2540/4885SLC6A2 2553/4885SLC6A3 1473/4885
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 ROCK2 3899/4885SLC6A2 3670/4885SLC6A3 2699/4885
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC ROCK2 2540/4885SLC6A2 2553/4885SLC6A3 1473/4885
US-20100324033-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC ROCK2 2540/4885SLC6A2 2553/4885SLC6A3 1473/4885
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, GPR119, OTC ROCK2 2465/4885SLC6A2 2262/4885SLC6A3 1408/4885

“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.