SCHEMBL2647591

SCHEMBL2647591

COC1CCC(N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.43
CDK2 P24941 10/20 0.43
CCNE2 O96020 9/20 0.43
CDK1 P06493 5/20 0.43
CDK4 P11802 5/20 0.43
CCNB2 O95067 4/20 0.43
CCNB1 P14635 4/20 0.43
CCND1 P24385 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
GCK P35557 2/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL999065 1.00 CCNE1 (0.43) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2647588 1.00 CCNE1 (0.43) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL999066 1.00 CCNE1 (0.43) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2647811 0.99 CCNE1 (0.43) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2647815 0.99 CCNE1 (0.43) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2649344 0.91 CCNE1 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2650481 0.91 CCNE1 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2650478 0.91 CCNE1 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL2649343 0.91 CCNE1 (0.44) CCNE1CDK2CCNE2CDK1CDK4
SCHEMBL999233 0.91 CCNE1 (0.43) CCNE1CDK2CCNE2CDK1CDK4

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
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL 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 (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.