SCHEMBL1241475

SCHEMBL1241475

C[C@H]1CC[C@H](N(CCOCc2ccccc2F)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.40
CDK2 P24941 13/20 0.40
CCNE2 O96020 12/20 0.40
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GCK P35557 1/20 0.34
GRM4 Q14833 2/20 0.34
ITK Q08881 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CDK5 Q00535 1/20 0.33
KCNH2 Q12809 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL12204198 0.95 CDK2 (0.38) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240778 0.95 CDK2 (0.38) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL12204082 0.92 CCNE2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240731 0.92 CCNE2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240877 0.92 CDK2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL12204081 0.92 CDK2 (0.39) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL9071907 0.91 CCNE2 (0.35) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1241302 0.91 CCNE2 (0.35) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240668 0.91 CCNE1 (0.40) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1241448 0.90 CCNE1 (0.41) 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 15 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-1904467-B1 Urea glucokinase activators NOVO NORDISK AS (DK) 2013-05-01 EP 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.