SCHEMBL4222265

SCHEMBL4222265

O=C(O)c1cc(OCc2ccccc2)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.58
CTSL P07711 4/20 0.58
MCL1 Q07820 2/20 0.50
POLB P06746 2/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FOLH1 Q04609 1/20 0.48
CYP19A1 P11511 1/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27654714 0.95 CTSV (0.58) CTSVCTSLMCL1POLBSENP8
SCHEMBL8316504 0.91 CTSV (0.61) CTSVCTSLMCL1POLBSENP8
SCHEMBL28257932 0.89 CTSV (0.63) CTSVCTSLPOLBSENP8SENP7
SCHEMBL19035902 0.86 CTSV (0.57) CTSVCTSLPOLBSENP8SENP7
SCHEMBL31235825 0.86 CTSV (0.60) CTSVCTSLPOLBSENP8SENP7
SCHEMBL582235 0.86 CTSV (0.60) CTSVCTSLPOLBSENP8SENP7
SCHEMBL7038843 0.85 MAOB (0.53) CTSVCTSLTDP1L3MBTL1CYP19A1
SCHEMBL873861 0.85 CTSV (0.60) CTSVCTSLSENP8SENP7SENP6
SCHEMBL159283 0.85 CTSV (0.60) CTSVCTSLSENP8SENP7SENP6
SCHEMBL31738283 0.84 CTSV (0.58) CTSVCTSLMCL1POLBSENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US claimed
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
CN-100404517-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 CN disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed
CN-1150171-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, and processes for their preparation ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-05-19 CN disclosed
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
CN-1449390-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-15 CN disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
CN-1343201-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, and processes for preparing them BOEHRINGER INGELHEIM PHARMA (DE) 2002-04-03 CN disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US 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 (4 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 CTSV 2604/4885CTSL 2785/4885MCL1 2407/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 CTSV 2604/4885CTSL 2785/4885MCL1 2407/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 CTSV 3357/4885CTSL 3264/4885MCL1 2324/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 CTSV 4740/4885CTSL 4369/4885MCL1 485/4885

“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.