SCHEMBL1521150

SCHEMBL1521150

O=c1ccn([C@H]2O[C@@H](COP(=O)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 12/20 0.79
P2RY6 Q15077 8/20 0.79
P2RY2 P41231 7/20 0.79
P2RY4 P51582 6/20 0.78

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
SCHEMBL1521096 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1521283 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1521520 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1521105 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1520999 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1521095 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1521213 1.00 P2RY14 (0.79) P2RY14P2RY6P2RY2P2RY4
SCHEMBL27551480 0.99 P2RY2 (0.78) P2RY14P2RY6P2RY2P2RY4
SCHEMBL28452047 0.94 P2RY14 (0.80) P2RY14P2RY6P2RY2P2RY4
SCHEMBL1521430 0.93 P2RY6 (0.70) P2RY14P2RY6P2RY2P2RY4

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 21 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-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-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 US disclosed
US-7122359-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 RESEARCH (US) 2006-10-17 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 P2RY14 3167/4885P2RY6 3414/4885P2RY2 4315/4885
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 P2RY14 479/4885P2RY6 309/4885P2RY2 689/4885
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 P2RY14 424/4885P2RY6 324/4885P2RY2 678/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT P2RY14 2987/4885P2RY6 3110/4885P2RY2 3969/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 P2RY14 3274/4885P2RY6 3455/4885P2RY2 4329/4885

“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.