SCHEMBL1240028

SCHEMBL1240028

CC(C)CCN(CCC(C)C)C(=O)Nc1ncc(SCCC(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.46
CDK2 P24941 19/20 0.46
CCNE2 O96020 18/20 0.46
CDK4 P11802 11/20 0.40
CCND1 P24385 11/20 0.40
CCNB2 O95067 9/20 0.40
CDK1 P06493 9/20 0.40
CCNB1 P14635 9/20 0.40
CCNB3 Q8WWL7 9/20 0.40
CDK5 Q00535 1/20 0.37
GRM4 Q14833 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36

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
SCHEMBL1240400 0.94 CCNE1 (0.41) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1238624 0.89 CCNE1 (0.45) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240652 0.83 CDK2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1241443 0.83 CCNE1 (0.43) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240604 0.82 CDK2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240606 0.82 CDK2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1238500 0.82 CDK2 (0.38) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1238502 0.82 CDK2 (0.38) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1238654 0.81 CCNE2 (0.40) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1241205 0.81 CDK2 (0.38) CCNE1CDK2CCNE2CDK4CCND1

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.