SCHEMBL1521578

SCHEMBL1521578

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
DTYMK P23919 4/20 0.62
TK1 P04183 3/20 0.59
POLA1 P09884 1/20 0.56
POLD1 P28340 1/20 0.56
TYMS P04818 1/20 0.54

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
SCHEMBL4153654 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL14262431 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL1521074 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL1521023 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL1520996 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL1521353 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL15756213 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL1521215 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL1521248 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1
SCHEMBL4077326 0.93 POLB (0.63) POLBDTYMKTK1POLA1POLD1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906460-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER (US) 2011-03-15 US claimed
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-08-02 US claimed
US-20050266523-A1 GLYCORANDOMIZATION AND THE PRODUCTION OF NOVEL ERYTHRONOLIDE AND COUMARIN ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION 2005-12-01 US claimed
US-6884604-B2 Glycorandomization and the production of novel erythronolide and coumarin analogs SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-04-26 US claimed
US-20030068669-A1 Glycorandomization and the production of novel erythronolide and coumarin analogs SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-04-10 US claimed
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 US claimed
WO-2002079150-A2 GLYCORANDOMIZATION AND THE PRODUCTION OF NOVEL ERYTHRONOLIDE AND COUMARIN ANALOGS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-10-10 WO claimed
WO-2002048331-A2 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLTRANSFERASES AND ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND 'UNNATURAL' UDP- AND NUCLEOTIDE SUGARS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2002-06-20 WO claimed
US-8618269-B2 Glycorandomization and production of novel novobiocin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 US disclosed
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 US disclosed
US-8198419-B2 Glycorandomization and production of novel erythromycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 US disclosed
US-7906460-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER (US) 2011-03-15 US disclosed
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
US-6884604-B2 Glycorandomization and the production of novel erythronolide and coumarin analogs SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-04-26 US disclosed
US-20040259228-A1 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-12-23 US disclosed
US-20030068669-A1 Glycorandomization and the production of novel erythronolide and coumarin analogs SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-04-10 US disclosed
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 US disclosed
WO-2002079150-A2 GLYCORANDOMIZATION AND THE PRODUCTION OF NOVEL ERYTHRONOLIDE AND COUMARIN ANALOGS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-10-10 WO disclosed
WO-2002048331-A2 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLTRANSFERASES AND ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND 'UNNATURAL' UDP- AND NUCLEOTIDE SUGARS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2002-06-20 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 (5 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 POLB 1506/4885DTYMK 157/4885TK1 772/4885
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars PNP, NUDT14, ENTPD5 POLB 1815/4885DTYMK 75/4885TK1 190/4885
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS PNP, NUDT14, NUDT5 POLB 1984/4885DTYMK 62/4885TK1 158/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT POLB 898/4885DTYMK 134/4885TK1 450/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 POLB 1627/4885DTYMK 156/4885TK1 847/4885

“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.