SCHEMBL1241302

SCHEMBL1241302

C[C@H]1CC[C@H](N(CCOCc2ccc(F)cc2F)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 7/20 0.35
CCNE1 P24864 7/20 0.35
CDK2 P24941 7/20 0.35
CCNB2 O95067 4/20 0.35
CDK1 P06493 4/20 0.35
CDK4 P11802 4/20 0.35
CCNB1 P14635 4/20 0.35
CCND1 P24385 4/20 0.35
CCNB3 Q8WWL7 4/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GRM4 Q14833 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ITK Q08881 1/20 0.33
HTR2A P28223 4/20 0.32
ALKBH1 Q13686 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL9071907 1.00 CCNE2 (0.35) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1238491 0.93 CCNB2 (0.34) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240332 0.93 SLC6A4 (0.38) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1241475 0.91 CCNE1 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2655244 0.90 PPARG (0.38) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2655242 0.90 PPARG (0.38) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2668628 0.89 CDK2 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240445 0.89 CDK2 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240778 0.89 CDK2 (0.38) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL12204198 0.89 CDK2 (0.38) CCNE2CCNE1CDK2CCNB2CDK1

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 13 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

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 CCNE2 1371/4885CCNE1 2561/4885CDK2 268/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE2 1371/4885CCNE1 2561/4885CDK2 268/4885

“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.