SCHEMBL1107728

SCHEMBL1107728

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
S1PR2 O95136 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 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
SCHEMBL1107756 0.88 MEN1 (0.46) KMT2AHPGDMEN1POLBALDH1A1
SCHEMBL9892938 0.88 MEN1 (0.46) KMT2AHPGDMEN1POLBALDH1A1
SCHEMBL1107310 0.85 MEN1 (0.45) KMT2AHPGDMEN1POLBALDH1A1
SCHEMBL9987377 0.85 MEN1 (0.45) KMT2AHPGDMEN1POLBALDH1A1
SCHEMBL1107748 0.84 GCK (0.50)
SCHEMBL12742979 0.81 PTGS2 (0.46) HPGDPOLBALDH1A1LMNA
SCHEMBL2668846 0.81 PTGS2 (0.49) KMT2AMEN1POLBALDH1A1
SCHEMBL1107717 0.80 CYP2C9 (0.49) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL1097572 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6430764 0.78 USP2 (0.49) KMT2APOLBGLAALDH1A1CA12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KMT2A 2260/4885HPGD 3604/4885MEN1 3412/4885

“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.