SCHEMBL1107602

SCHEMBL1107602

COC(=O)c1cc(O)cc(OCc2ccc(OC)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
FFAR1 O14842 2/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL2256044 0.91 SMPD1 (0.59) SMPD1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL3604210 0.89 MAOB (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29475634 0.87 LMNA (0.69) SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL90412 0.87 LMNA (0.69) SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12221470 0.86 NPC1 (0.57) SMPD1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL9071285 0.85 SMPD1 (0.56) SMPD1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL8663810 0.85 LMNA (0.59) SMPD1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13413526 0.84 SMN1; SMN2 (0.54) SMPD1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL3729907 0.83 NPC1 (0.75) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL2254423 0.83 SMPD1 (0.76) SMPD1RAB9ANPC1SMN1; SMN2POLB

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 11 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
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
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 SMPD1 1893/4885RAB9A 1193/4885NPC1 3660/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMPD1 2594/4885RAB9A 1081/4885NPC1 3229/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMPD1 2622/4885RAB9A 982/4885NPC1 3184/4885

“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.