SCHEMBL1107423

SCHEMBL1107423

CC(C)OP(=O)(Cc1cnc(NC(=O)OC(C)(C)C)cn1)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPKAPK2 P49137 4/20 0.35
NAMPT P43490 3/20 0.35
GCK P35557 1/20 0.35
SCD O00767 1/20 0.34
HDAC1 Q13547 1/20 0.34
MAPK1 P28482 1/20 0.33
PTGER1 P34995 1/20 0.33
SYK P43405 1/20 0.33
GRIN2B Q13224 1/20 0.32
SCN9A Q15858 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL1140072 0.84 GCK (0.43) GSK3BDYRK1AMAPKAPK2NAMPTGCK
SCHEMBL9892949 0.80 MAPKAPK2 (0.38) GSK3BDYRK1AMAPKAPK2NAMPTGCK
SCHEMBL13323075 0.78 GSK3B (0.41) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL27886524 0.77 MAPKAPK2 (0.40) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL611654 0.77 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL7452419 0.77 MAPKAPK2 (0.42) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL29934934 0.77 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL2668927 0.77 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL19053692 0.76 MAPKAPK2 (0.42) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1
SCHEMBL9897762 0.76 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2NAMPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US 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 (3 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK GSK3B 1927/4885DYRK1A 1504/4885MAPKAPK2 158/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GSK3B 1324/4885DYRK1A 824/4885MAPKAPK2 142/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GSK3B 1664/4885DYRK1A 860/4885MAPKAPK2 115/4885

“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.