SCHEMBL1107731

SCHEMBL1107731

CS(=O)(=O)c1ccc(Oc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.68
ALDH1A1 P00352 1/20 0.63
KDM4E B2RXH2 1/20 0.61
KMO O15229 1/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
RAB9A P51151 1/20 0.57
GCK P35557 2/20 0.56
KAT6A Q92794 1/20 0.50
TNKS O95271 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL12742907 0.88 GCK (0.56) AKR1C3ALDH1A1KDM4ERAB9AGCK
SCHEMBL1634787 0.88 AKR1C3 (0.72) AKR1C3ALDH1A1KDM4EKMONPC1
SCHEMBL1107719 0.86 MEN1 (0.58) AKR1C3ALDH1A1POLBGCK
SCHEMBL1107697 0.85 GCK (0.57) AKR1C3ALDH1A1POLBGCKKAT6A
SCHEMBL1042631 0.85 AKR1C3 (0.92) AKR1C3ALDH1A1KDM4EKMONPC1
SCHEMBL30266789 0.85 AKR1C3 (0.92) AKR1C3ALDH1A1KDM4EKMONPC1
SCHEMBL16429303 0.85 AKR1C3 (0.68) AKR1C3ALDH1A1KDM4EKMONPC1
SCHEMBL1799919 0.85 SRD5A2 (0.54) AKR1C3ALDH1A1KDM4EKMONPC1
SCHEMBL4320685 0.84 AKR1C3 (0.96) AKR1C3KDM4EKMONPC1POLB
SCHEMBL28701196 0.84 AKR1C3 (0.96) AKR1C3KDM4EKMONPC1POLB

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 9 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
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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 (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 AKR1C3 1698/4885ALDH1A1 4045/4885KDM4E 2426/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 AKR1C3 1240/4885ALDH1A1 4620/4885KDM4E 2316/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 AKR1C3 1291/4885ALDH1A1 4539/4885KDM4E 2019/4885

“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.