SCHEMBL1107606

SCHEMBL1107606

CCOP(=O)(Cc1csc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc(OC)cc2)n1)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.46
GCK P35557 1/20 0.46
KCNH2 Q12809 1/20 0.46
TP53 P04637 2/20 0.41
PTGER1 P34995 1/20 0.40
KLKB1 P03952 1/20 0.40
MAPK1 P28482 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1134258 0.82 GCK (0.52) GCKKCNH2MAPK1ALDH1A1LMNA
SCHEMBL12824025 0.76 F10 (0.46) F10KLKB1PTGS1PTGS2TSHR
SCHEMBL2668898 0.74 GCK (0.49) GCKKCNH2PTGS2ALDH1A1HPGD
SCHEMBL1107508 0.72 KCNH2 (0.73) GCKKCNH2MAPK1ALDH1A1MAPT
SCHEMBL1140305 0.72 ALDH1A1 (0.52) GCKKCNH2MAPK1ALDH1A1MAPT
SCHEMBL1107511 0.71 KCNH2 (0.52) GCKKCNH2PTGS2ALDH1A1
SCHEMBL1107536 0.70 KMT2A (0.52) GCKKCNH2TP53MAPK1MAPT
SCHEMBL1107558 0.70 KMT2A (0.55) GCKKCNH2TP53MAPK1ALDH1A1
SCHEMBL1107608 0.70 ALDH1A1 (0.50) GCKKCNH2TP53MAPK1ALDH1A1
SCHEMBL1107712 0.70 GCK (0.80) GCKKCNH2

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 9 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
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 F10 2409/4885GCK 3/4885KCNH2 921/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 F10 2743/4885GCK 2/4885KCNH2 716/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 F10 2710/4885GCK 2/4885KCNH2 634/4885

“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.