SCHEMBL1521577

SCHEMBL1521577

CC[C@@]1(S)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGB P11216 8/20 0.40
PYGL P06737 3/20 0.40
PYGM P11217 2/20 0.40
SLC5A2 P31639 2/20 0.38
SLC5A1 P13866 1/20 0.38

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
SCHEMBL7563352 0.80 GAA (0.36) PYGBPYGLPYGM
SCHEMBL17460438 0.80 GAA (0.36) PYGBPYGLPYGM
SCHEMBL2380968 0.80 GAA (0.36) PYGBPYGLPYGM
SCHEMBL1843403 0.80 GAA (0.36) PYGBPYGLPYGM
SCHEMBL30636631 0.78 PYGB (0.36) PYGBPYGLPYGM
SCHEMBL14249031 0.77 PYGB (0.37) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL6839791 0.77 PYGB (0.37) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL27936287 0.76 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL16259329 0.74 PYGB (0.41) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL5703493 0.74 PYGB (0.41) PYGBPYGLPYGMSLC5A2SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403378-B1 Medium for detecting target microbes in a sample IDEXX LAB INC (US) 2008-02-27 EP claimed
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-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 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-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-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 (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-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 PYGB 442/4885PYGL 455/4885PYGM 331/4885
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 PYGB 484/4885PYGL 532/4885PYGM 377/4885

“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.