SCHEMBL1139993

SCHEMBL1139993

CC(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(Oc2cnccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
PTGS2 P35354 1/20 0.45
GCK P35557 12/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1107335 0.88 GCK (0.47) KMT2APTGS2GCK
SCHEMBL9892939 0.85 GCK (0.47) PTGS2GCKALDH1A1
SCHEMBL2664258 0.83 MAPT (0.53) KMT2ASMN1; SMN2GCKMAPTALDH1A1
SCHEMBL18355733 0.81 KMT2A (0.68) KMT2ASMN1; SMN2PTGS2KDM4EMAPT
SCHEMBL1139992 0.81 MEN1 (0.57) KMT2ASMN1; SMN2GCKMAPTGAA
SCHEMBL12594254 0.79 MAPT (0.47) KMT2ASMN1; SMN2GCKKDM4EMAPT
SCHEMBL10949996 0.76 MAPT (0.70) KMT2ASMN1; SMN2PTGS2MAPTALDH1A1
SCHEMBL2664242 0.76 MAPT (0.47) KMT2ASMN1; SMN2GCKMAPTALDH1A1
SCHEMBL9891693 0.76 MEN1 (0.49) KMT2ASMN1; SMN2PTGS2GCKMAPT
SCHEMBL1107724 0.75 GCK (0.49) KMT2APTGS2GCK

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 KMT2A 2216/4885SMN1; SMN2 4603/4885PTGS2 3795/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KMT2A 2344/4885SMN1; SMN2 4710/4885PTGS2 3837/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KMT2A 2260/4885SMN1; SMN2 4647/4885PTGS2 3999/4885

“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.