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Sugi Predict / Compounds / SCHEMBL1107310

SCHEMBL1107310

SCHEMBL1107310

CC(C)C(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)N2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 3/20 0.42
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA7 P43166 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA14 Q9ULX7 3/20 0.40
▸ GCK P35557 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ S1PR2 O95136 2/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL9892938 0.87 MEN1 (0.46) MEN1KMT2AGAAHTTPOLB
SCHEMBL1107756 0.87 MEN1 (0.46) MEN1KMT2AGAAHTTPOLB
SCHEMBL1107728 0.85 KMT2A (0.46) MEN1KMT2AGAAHTTPOLB
SCHEMBL9987377 0.84 MEN1 (0.45) MEN1KMT2AGAAHTTPOLB
SCHEMBL1107298 0.77 GCK (0.52) GCKKCNH2
SCHEMBL9987330 0.77 MEN1 (0.42) MEN1KMT2AGAAHTTPOLB
SCHEMBL1107296 0.74 GCK (0.62) GCKKCNH2
SCHEMBL1107318 0.74 GCK (0.50) MEN1KMT2AGCKKCNH2
SCHEMBL1107749 0.73 GCK (0.63) GCKKCNH2
SCHEMBL12742039 0.73 GCK (0.63) GCKKCNH2

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 2216/4885GAA 750/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3654/4885KMT2A 2344/4885GAA 810/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3412/4885KMT2A 2260/4885GAA 1023/4885

“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.