SCHEMBL1241440

SCHEMBL1241440

CC(C)c1ccc(CCN(C(=O)Nc2ncc(SCC(=O)O)s2)[C@H]2CC[C@H](C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.41
CDK2 P24941 10/20 0.41
CCNE2 O96020 9/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK4 P11802 5/20 0.37
CCND1 P24385 5/20 0.37
CCNB2 O95067 4/20 0.37
CDK1 P06493 4/20 0.37
CCNB1 P14635 4/20 0.37
CCNB3 Q8WWL7 4/20 0.37
ADORA2A P29274 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
SCHEMBL1241215 0.91 CCNE1 (0.42) CCNE1CDK2CCNE2CYP1A2CYP2D6
SCHEMBL2668703 0.91 CCNE1 (0.42) CCNE1CDK2CCNE2CYP1A2CYP2D6
SCHEMBL1241814 0.91 CCNE1 (0.42) CCNE1CDK2CCNE2ALDH1A1KMT2A
SCHEMBL2668611 0.90 CCNE2 (0.40) CCNE1CDK2CCNE2KDM4EALDH1A1
SCHEMBL1240449 0.90 CCNE2 (0.40) CCNE1CDK2CCNE2KDM4EALDH1A1
SCHEMBL1240730 0.90 CCNE1 (0.51) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240727 0.90 CCNE1 (0.51) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1241701 0.90 CCNE1 (0.42) CCNE1CDK2CCNE2KDM4EALDH1A1
SCHEMBL1238496 0.89 CCNE2 (0.39) CCNE1CDK2CCNE2KDM4ECDK4
SCHEMBL1238498 0.89 CCNE2 (0.35) CCNE1CDK2CCNE2KDM4EALDH1A1

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.