SCHEMBL1240433

SCHEMBL1240433

C[C@H]1CC[C@H](N(CCCOc2ccc(F)cc2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
CCNE2 O96020 6/20 0.36
CCNE1 P24864 6/20 0.36
CDK2 P24941 6/20 0.36
CCNB2 O95067 4/20 0.36
CDK1 P06493 4/20 0.36
CDK4 P11802 4/20 0.36
CCNB1 P14635 4/20 0.36
CCND1 P24385 4/20 0.36
CCNB3 Q8WWL7 4/20 0.36
GCK P35557 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR2A P28223 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34

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
SCHEMBL1240919 0.93 GCK (0.42) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1238604 0.93 CCNE1 (0.42) LTA4HCCNE2CCNE1CDK2CCNB2
SCHEMBL12204200 0.92 PPARG (0.40) LTA4HCCNE2CCNE1CDK2CCNB2
SCHEMBL1238645 0.91 DAGLB (0.37) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240450 0.91 CCNE2 (0.35) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1238570 0.91 CCNE2 (0.36) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1238738 0.90 MEN1 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1238498 0.90 CCNE2 (0.35) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2657013 0.89 CCNE1 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2657015 0.89 CCNE1 (0.40) 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 11 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-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
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 LTA4H 2607/4885CCNE2 1371/4885CCNE1 2561/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 LTA4H 2607/4885CCNE2 1371/4885CCNE1 2561/4885

“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.