SCHEMBL1139992

SCHEMBL1139992

CC(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(Oc2ncccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GCK P35557 15/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2664258 0.88 MAPT (0.53) MEN1KMT2AGCKLMNAHTT
SCHEMBL1107318 0.86 GCK (0.50) MEN1KMT2AGCK
SCHEMBL9892939 0.86 GCK (0.47) GCKHTT
SCHEMBL12594254 0.82 MAPT (0.47) MEN1KMT2AGCKMAPTSMN1; SMN2
SCHEMBL1139993 0.81 KMT2A (0.51) KMT2AGCKGAAMAPTSMN1; SMN2
SCHEMBL9891693 0.80 MEN1 (0.49) MEN1KMT2AGCKMAPTSMN1; SMN2
SCHEMBL2664242 0.80 MAPT (0.47) MEN1KMT2AGCKLMNAHTT
SCHEMBL10329791 0.79 GCK (0.60) GCK
SCHEMBL12594271 0.79 GCK (0.53) GCK
SCHEMBL12742907 0.78 GCK (0.56) MEN1KMT2AGCKHTTMAPT

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 5 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-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 MEN1 3153/4885KMT2A 2216/4885GCK 3/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3654/4885KMT2A 2344/4885GCK 2/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3412/4885KMT2A 2260/4885GCK 2/4885

“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.