SCHEMBL1241655

SCHEMBL1241655

CC[C@H]1CC[C@H](N(CCc2ccccc2)C(=O)Nc2ncc(SCCC(=O)O)s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.52
CDK2 P24941 11/20 0.52
CCNE2 O96020 8/20 0.52
PKM P14618 1/20 0.40
CDK5 Q00535 3/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
GRM4 Q14833 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
OPRM1 P35372 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ITK Q08881 1/20 0.34

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
SCHEMBL1240700 0.91 CCNE1 (0.49) CCNE1CDK2CCNE2PKMCDK5
SCHEMBL1240543 0.91 CCNE1 (0.54) CCNE1CDK2CCNE2PKMCDK5
SCHEMBL1240541 0.91 CCNE1 (0.54) CCNE1CDK2CCNE2PKMCDK5
SCHEMBL1238484 0.89 CCNE1 (0.53) CCNE1CDK2CCNE2PKMCDK5
SCHEMBL1241205 0.87 CDK2 (0.38) CCNE1CDK2CCNE2CDK5CDK4
SCHEMBL1241337 0.86 CDK2 (0.41) CCNE1CDK2CCNE2CDK5CDK4
SCHEMBL1241259 0.84 CCNE1 (0.43) CCNE1CDK2CCNE2CDK5CDK4
SCHEMBL1240727 0.82 CCNE1 (0.51) CCNE1CDK2CCNE2PKMCDK5
SCHEMBL1240730 0.82 CCNE1 (0.51) CCNE1CDK2CCNE2PKMCDK5
SCHEMBL2648787 0.82 CDK2 (0.41) CCNE1CDK2CCNE2CDK5CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 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-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-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
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 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-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 (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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE1 2561/4885CDK2 268/4885CCNE2 1371/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE1 2561/4885CDK2 268/4885CCNE2 1371/4885

“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.