SCHEMBL1521074

SCHEMBL1521074

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
DTYMK P23919 4/20 0.61
P2RY6 Q15077 6/20 0.58
TK1 P04183 1/20 0.58
P2RY2 P41231 5/20 0.57
P2RY14 Q15391 4/20 0.57
TYMS P04818 1/20 0.57
P2RY4 P51582 4/20 0.57
POLA1 P09884 1/20 0.57
POLD1 P28340 1/20 0.57

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
SCHEMBL4077326 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL4153654 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL1521215 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL1521248 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL14262431 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL1520996 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL1521353 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL1521023 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL15756213 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2
SCHEMBL31153245 1.00 POLB (0.63) POLBDTYMKP2RY6TK1P2RY2

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 23 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
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-20050266523-A1 GLYCORANDOMIZATION AND THE PRODUCTION OF NOVEL ERYTHRONOLIDE AND COUMARIN ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION 2005-12-01 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 157/4885P2RY6 3414/4885
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 75/4885P2RY6 309/4885
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 62/4885P2RY6 324/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT POLB 898/4885DTYMK 134/4885P2RY6 3110/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 POLB 1627/4885DTYMK 156/4885P2RY6 3455/4885

“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.