SCHEMBL1107422

SCHEMBL1107422

CS(=O)(=O)c1ccc(NCC2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
ALDH3A1 P30838 1/20 0.69
PTGS2 P35354 3/20 0.52
GHSR Q92847 5/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
RORC P51449 1/20 0.42
VCP P55072 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CA2 P00918 1/20 0.41
PTGS1 P23219 1/20 0.41
BRD4 O60885 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL15718561 0.86 PTGS2 (0.55) ALDH1A1ALDH3A1PTGS2GHSRKMT2A
SCHEMBL1238818 0.83 CA2 (0.58) ALDH1A1ALDH3A1PTGS2KMT2AMEN1
SCHEMBL27900321 0.80 ALDH1A1 (0.49) ALDH1A1ALDH3A1KMT2AMEN1VCP
SCHEMBL27589391 0.76 ALDH1A1 (0.47) ALDH1A1ALDH3A1KMT2AMEN1CA2
SCHEMBL10980087 0.75 NPC1 (0.51) ALDH1A1ALDH3A1KMT2AMEN1
SCHEMBL19639916 0.74 NPC1 (0.46) ALDH1A1ALDH3A1KMT2AMEN1
SCHEMBL23521703 0.73 ALDH1A1 (0.43) ALDH1A1ALDH3A1KMT2AMEN1
SCHEMBL12204742 0.72 ACHE (0.59) ALDH1A1KMT2A
SCHEMBL11159785 0.72 ADH1B (0.46) ALDH1A1ALDH3A1KMT2AMEN1
SCHEMBL9679337 0.72 EPHX1 (0.54) ALDH1A1ALDH3A1KMT2AMEN1

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 15 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-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US 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
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP 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
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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 (4 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 ALDH1A1 4045/4885ALDH3A1 1801/4885PTGS2 3795/4885
US-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885ALDH3A1 866/4885PTGS2 942/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4539/4885ALDH3A1 2562/4885PTGS2 3999/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885ALDH3A1 866/4885PTGS2 942/4885

“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.