SCHEMBL2648748

SCHEMBL2648748

CCO[C@H]1CC[C@H](N(C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)C2CCCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.37
CDK2 P24941 11/20 0.37
CCNE2 O96020 10/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CDK1 P06493 5/20 0.36
CDK4 P11802 5/20 0.36
CCNB2 O95067 4/20 0.35
CCNB1 P14635 4/20 0.35
CCND1 P24385 4/20 0.35
CCNB3 Q8WWL7 4/20 0.35
CDK9 P50750 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARA Q07869 1/20 0.33
CIT O14578 1/20 0.33
CASK O14936 1/20 0.33
AURKA O14965 1/20 0.33
GAK O14976 1/20 0.33
DCLK1 O15075 1/20 0.33
MAP3K7 O43318 1/20 0.33

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
SCHEMBL2648211 1.00 CCNE1 (0.37) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2648213 1.00 CCNE1 (0.37) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2648751 1.00 CCNE1 (0.37) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2649997 0.94 CDK2 (0.36) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2649993 0.94 CDK2 (0.36) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2648982 0.92 CDK2 (0.38) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2648976 0.92 CDK2 (0.38) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2649324 0.91 CCNE1 (0.35) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2649822 0.91 CCNE1 (0.35) CCNE1CDK2CCNE2MAPTMAPK1
SCHEMBL2649825 0.91 CCNE1 (0.35) CCNE1CDK2CCNE2MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 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 (1 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 CCNE1 2454/4885CDK2 253/4885CCNE2 2474/4885

“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.