SCHEMBL1107411

SCHEMBL1107411

CCOP(=O)(OCC)c1cnc(N)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NOS1 P29475 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 3/20 0.32
HMGCR P04035 1/20 0.32
HSD17B10 Q99714 3/20 0.31
TP53 P04637 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1107375 0.81 KDM4E (0.38) SMN1; SMN2POLBKDM4ETSHRHSD17B10
SCHEMBL2656358 0.81 SMN1; SMN2 (0.42) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL1107410 0.73 SMN1; SMN2 (0.51) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL9071160 0.72 SMN1; SMN2 (0.37) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL7872706 0.71 POLB (0.41) POLBKDM4EHPGDTSHRTP53
SCHEMBL1097311 0.70 GAA (0.42) SMN1; SMN2NOS1GAAALDH1A1HPGD
SCHEMBL9891666 0.68 SMN1; SMN2 (0.49) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL2668962 0.68 CCNE1 (0.41) CA1CA2
SCHEMBL8576269 0.67 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL972839 0.67 MEN1 (0.33) POLBKDM4ETSHRTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
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
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO 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 SMN1; SMN2 4603/4885NOS1 1798/4885GAA 750/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4710/4885NOS1 2524/4885GAA 810/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4647/4885NOS1 2390/4885GAA 1023/4885

“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.