SCHEMBL12384841

SCHEMBL12384841

C[C@H]1CC[C@H](N(CC2CCCC2)C(=O)NC(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.41
▸ CCNE2 O96020 7/20 0.41
▸ CCNE1 P24864 7/20 0.41
▸ CCNB2 O95067 4/20 0.41
▸ CDK1 P06493 4/20 0.41
▸ CDK4 P11802 4/20 0.41
▸ CCNB1 P14635 4/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CCNB3 Q8WWL7 4/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ ATG4B Q9Y4P1 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
SCHEMBL12384837 0.99 CDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL12384828 0.88 CDK2 (0.39) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL12384833 0.87 CDK2 (0.38) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL12384826 0.86 CDK2 (0.36) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2656567 0.83 CDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2656562 0.83 CDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL998957 0.82 CDK2 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL998015 0.82 CDK2 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL1002552 0.82 CDK2 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2656028 0.82 CDK2 (0.41) CDK2CCNE2CCNE1CCNB2CDK1

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-7999114-B2 Dicycloalkylcarbamoyl ureas as glucokinase activators NOVO NORDISK A/S (DK) 2011-08-16 — — US disclosed
US-7999114-B2 Dicycloalkylcarbamoyl ureas as glucokinase activators NOVO NORDISK A/S (DK) 2011-08-16 — — US disclosed
US-20080319028-A1 Dicycloalkylcarbamoyl Ureas As Glucokinase Activators NOVO NORDISK A/S (DK) 2008-12-25 — — US disclosed
US-20080319028-A1 Dicycloalkylcarbamoyl Ureas As Glucokinase Activators NOVO NORDISK A/S (DK) 2008-12-25 — — 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-20080319028-A1 Dicycloalkylcarbamoyl Ureas As Glucokinase Activators GCK, HK1, GCKR CDK2 547/4885CCNE2 2893/4885CCNE1 2708/4885

“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.

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