SCHEMBL1240409

SCHEMBL1240409

CCCCN(C(=O)Nc1ncc(SCC(=O)O)s1)C1CCC(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.41
CCNE2 O96020 9/20 0.41
CCNE1 P24864 9/20 0.41
CDK1 P06493 6/20 0.41
CCNB1 P14635 6/20 0.41
CCNB2 O95067 5/20 0.41
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
CCNB3 Q8WWL7 5/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PTBP1 P26599 1/20 0.37
ITK Q08881 1/20 0.35
CDK9 P50750 7/20 0.34
CCNT1 O60563 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 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
SCHEMBL1240406 1.00 CDK2 (0.41) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL12384833 0.93 CDK2 (0.38) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1241420 0.91 CDK2 (0.41) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1241582 0.91 CDK2 (0.42) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1240779 0.91 CDK2 (0.39) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1240781 0.91 CDK2 (0.39) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL2668578 0.88 CCNE1 (0.48) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL2656562 0.88 CDK2 (0.42) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL2656567 0.88 CDK2 (0.42) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1238490 0.88 CCNE1 (0.48) CDK2CCNE2CCNE1CDK1CCNB1

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 7 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
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-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
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 268/4885CCNE2 1371/4885CCNE1 2561/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CDK2 268/4885CCNE2 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.