SCHEMBL432794

SCHEMBL432794

O=C(O)C(Cc1ccc(O)cc1)N([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.49
▸ CPA1 P15085 4/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ NAALAD2 Q9Y3Q0 1/20 0.38
▸ CA1 P00915 1/20 0.37

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
SCHEMBL432795 1.00 SLC7A5 (0.49) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL598436 0.87 CPA1 (0.54) SLC7A5CPA1FOLH1
SCHEMBL598437 0.87 CPA1 (0.54) SLC7A5CPA1FOLH1
SCHEMBL31480614 0.86 SLC7A5 (0.47) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL31480546 0.84 SLC7A5 (0.50) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL5966737 0.84 SLC7A5 (0.46) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL5341495 0.84 SLC7A5 (0.50) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL20856984 0.80 FNTA (0.47) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL8513742 0.78 OPRM1 (0.46) SLC7A5CPA1FNTAFNTB
SCHEMBL2542276 0.78 SLC7A5 (0.56) SLC7A5FNTAFNTBPOLBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114648-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-14 — — US claimed
US-20080167243-A1 immunizing a subject with a sufficient amount of a translated polypeptide to produce antibody; containing a phenylalanine or tyrosine derivative analoges THE SCRIPPS RESEARCH INSTITUTE 2008-07-10 — — US claimed
US-20180112200-A1 COMPOSITIONS AND METHODS FOR GENERATING ANTIGENS, ANTIBODIES, AND IMMUNOTHERAPEUTIC COMPOSITIONS AND METHODS UNIV CALIFORNIA (US) 2018-04-26 — — US disclosed
EP-3237439-A1 COMPOSITIONS AND METHODS FOR GENERATING ANTIGENS, ANTIBODIES, AND IMMUNOTHERAPEUTIC COMPOSITIONS AND METHODS The Regents of The University of California (US) 2017-11-01 — — EP disclosed
US-20170016924-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIVERSITY OF WASHINGTON (US) 2017-01-19 — — US disclosed
WO-2016106198-A1 COMPOSITIONS AND METHODS FOR GENERATING ANTIGENS, ANTIBODIES, AND IMMUNOTHERAPEUTIC COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-30 — — WO disclosed
WO-2016018937-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INSECT PROLIFERATION THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-04 — — WO disclosed
EP-2596124-B1 NOVEL SUBSTRATES THE FLUORESCENCE OF WHICH IS SUPPRESSED, PREPARATION THEREOF, AND USE THEREOF FOR IDENTIFYING, DETECTING, AND ASSAYING LEGIONELLA PNEUMOPHILIA PHARMALEADS (FR) 2015-07-08 — — EP disclosed
US-20130203097-A1 SUBSTRATES THE FLUORESCENCE OF WHICH IS SUPPRESSED, PREPARATION THEREOF, AND USE THEREOF FOR IDENTIFYING, DETECTING, AND ASSAYING LEGIONELLA PNEUMOPHILIA PHARMALEADS (FR) 2013-08-08 — — US disclosed
EP-2596124-A1 NOVEL SUBSTRATES THE FLUORESCENCE OF WHICH IS SUPPRESSED, PREPARATION THEREOF, AND USE THEREOF FOR IDENTIFYING, DETECTING, AND ASSAYING LEGIONELLA PNEUMOPHILIA Pharmaleads (FR) 2013-05-29 — — EP disclosed
WO-2012010668-A1 NOVEL SUBSTRATES THE FLUORESCENCE OF WHICH IS SUPPRESSED, PREPARATION THEREOF, AND USE THEREOF FOR IDENTIFYING, DETECTING, AND ASSAYING LEGIONELLA PNEUMOPHILIA PHARMALEADS (FR) 2012-01-26 — — WO disclosed
US-20100297680-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIVERSITY OF WASHINGTON (US) 2010-11-25 — — US disclosed
US-7749729-B2 Methods for assessing the risk for development of cardiovascular disease UNIVERSITY OF WASHINGTON (US) 2010-07-06 — — US disclosed
US-20080261250-A1 Methods for Assessing the Risk for Development of Cardiovascular Disease UNIVERSITY OF WASHINGTON (US) 2008-10-23 — — US disclosed
EP-1787116-A4 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIV WASHINGTON (US) 2008-05-28 — — EP disclosed
EP-1787116-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE University of Washington (US) 2007-05-23 — — EP disclosed
WO-2006014628-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIVERSITY OF WASHINGTON (US) 2006-02-09 — — WO disclosed
US-20040009911-A1 Hepsin substrates and prodrugs IRM, LLC (BM) 2004-01-15 — — US disclosed
WO-2003064620-A2 HEPSIN SUBSTRATES AND PRODRUGS IRM, LLC (BM) 2003-08-07 — — 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 (2 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-20080167243-A1 immunizing a subject with a sufficient amount of a translated polypeptide to produce antibody; containing a phenylalanine or tyrosine derivative analoges DNPEP, NPEPPS, TYR SLC7A5 97/4885CPA1 734/4885FNTA 227/4885
US-20040009911-A1 Hepsin substrates and prodrugs HPN, SPR, TMPRSS15 SLC7A5 2806/4885CPA1 246/4885FNTA 490/4885

“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.

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