SCHEMBL1241539

SCHEMBL1241539

C[C@H]1CC[C@H](N(CCc2cccc(F)c2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.41
CCNE1 P24864 6/20 0.41
CCNE2 O96020 5/20 0.41
ITK Q08881 3/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND1 P24385 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CDK5 Q00535 1/20 0.36
GRM4 Q14833 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL1240373 0.91 CCNE1 (0.41) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1240730 0.91 CCNE1 (0.51) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1240727 0.91 CCNE1 (0.51) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL2668617 0.90 CCNE1 (0.41) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1241591 0.90 CCNE1 (0.41) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1241701 0.90 CCNE1 (0.42) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1241401 0.89 CCNE1 (0.38) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1240698 0.89 ROCK2 (0.44) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL2668609 0.89 ROCK2 (0.44) CDK2CCNE1CCNE2ITKCCNB2
SCHEMBL1240419 0.87 CDK2 (0.37) CDK2CCNE1CCNE2ITKCCNB2

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-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 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 CDK2 268/4885CCNE1 2561/4885CCNE2 1371/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CDK2 268/4885CCNE1 2561/4885CCNE2 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.