SCHEMBL540106

SCHEMBL540106

COC(=O)[C@@H]1Cc2ccc(O)c([N+](=O)[O-])c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38
HDAC8 Q9BY41 6/20 0.37
AGTR2 P50052 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1202987 0.80 PTPN1 (0.53) PTPN1NR1H2NR1H3HDAC8
SCHEMBL16739181 0.79 PTPN1 (0.51) PTPN1NR1H2NR1H3HDAC8AGTR2
SCHEMBL6392086 0.79 PTPN1 (0.63) PTPN1HDAC8AGTR2ALDH1A1LMNA
SCHEMBL539738 0.78 PTPN1 (0.54) PTPN1NR1H2NR1H3HDAC8
SCHEMBL12849136 0.78 PTPN1 (0.54) PTPN1NR1H2NR1H3HDAC8
SCHEMBL539175 0.75 PTPN1 (0.64) PTPN1NR1H2NR1H3HDAC8
SCHEMBL540060 0.75 PTPN1 (0.64) PTPN1NR1H2NR1H3HDAC8
SCHEMBL21881535 0.75 PTPN1 (0.47) PTPN1NR1H2NR1H3HDAC8
SCHEMBL2081158 0.75 PTPN1 (0.47) PTPN1NR1H2NR1H3HDAC8
SCHEMBL1201488 0.75 PTPN1 (0.53) PTPN1NR1H2NR1H3HDAC8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
EP-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 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 (3 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 PTPN1 366/4885NR1H2 714/4885NR1H3 1369/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 PTPN1 366/4885NR1H2 714/4885NR1H3 1369/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 PTPN1 534/4885NR1H2 599/4885NR1H3 1308/4885

“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.