SCHEMBL1107306

SCHEMBL1107306

CC(C)Oc1cc(OC2CCN(S(C)(=O)=O)CC2)cc(C(=O)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
PRSS1 P07477 2/20 0.42
F10 P00742 1/20 0.42
PRSS2 P07478 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PRSS3 P35030 1/20 0.42
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGDR Q13258 4/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 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
SCHEMBL1140554 0.89 KDM4E (0.48) KDM4ENPC1RAB9AHTTPOLB
SCHEMBL9986894 0.79 KDM4E (0.47) KDM4ENPC1RAB9AHTTPOLB
SCHEMBL9987668 0.77 RORC (0.46) KDM4ECYP2D6HRH3MEN1KMT2A
SCHEMBL19543014 0.75 KMT2A (0.47) KDM4EHTTPOLBPRSS1ALDH1A1
SCHEMBL4798885 0.69 PARP10 (0.61) KDM4ERAB9ACYP2D6HRH3ALDH1A1
SCHEMBL9891684 0.68 GPR119 (0.51) NPC1RAB9AHTTHRH3ALDH1A1
SCHEMBL1107610 0.68 GPR119 (0.51) HRH3MEN1KMT2AGPR119
SCHEMBL19171114 0.68 MEN1 (0.53) CYP2D6HRH3MAPTMEN1KMT2A
SCHEMBL15261932 0.68 HRH3 (0.50) NPC1RAB9APOLBCYP2D6HRH3
SCHEMBL1107619 0.67 GPR119 (0.49) NPC1RAB9AHTTHRH3ALDH1A1

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 7 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-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-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 KDM4E 2426/4885NPC1 3660/4885RAB9A 1193/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KDM4E 2316/4885NPC1 3229/4885RAB9A 1081/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KDM4E 2019/4885NPC1 3184/4885RAB9A 982/4885

“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.