SCHEMBL1107611

SCHEMBL1107611

COc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
AKR1C3 P42330 1/20 0.49
GCK P35557 2/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
PTGS2 P35354 3/20 0.46
RXRA P19793 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1107719 0.94 MEN1 (0.58) MEN1KMT2AALDH1A1AKR1C3GCK
SCHEMBL1140769 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1AKR1C3GCK
SCHEMBL12594254 0.88 MAPT (0.47) MEN1KMT2AALDH1A1AKR1C3GCK
SCHEMBL1107717 0.87 CYP2C9 (0.49) MEN1KMT2AALDH1A1AKR1C3GCK
SCHEMBL2668846 0.86 PTGS2 (0.49) MEN1KMT2AALDH1A1GCKPTGS2
SCHEMBL2654925 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1AKR1C3GCK
SCHEMBL9891693 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1AKR1C3GCK
SCHEMBL1107736 0.85 GCK (0.60) MEN1KMT2AGCKPTGS2
SCHEMBL19985661 0.85 HTT (0.57) MEN1KMT2AALDH1A1TAS2R14POLB
SCHEMBL1107744 0.84 GCK (0.56) MEN1KMT2AGCK

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-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
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 (2 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3654/4885KMT2A 2344/4885ALDH1A1 4620/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3412/4885KMT2A 2260/4885ALDH1A1 4539/4885

“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.