SCHEMBL2658239

SCHEMBL2658239

C[C@H]1CC[C@H](N(CCCCCc2ccccc2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.47
CDK2 P24941 13/20 0.47
CCNE2 O96020 10/20 0.47
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK5 Q00535 3/20 0.39
GRM4 Q14833 1/20 0.39
ITK Q08881 1/20 0.39
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
GCK P35557 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
SCHEMBL2658241 1.00 CCNE1 (0.47) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2656548 0.99 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2656550 0.99 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2668578 0.97 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1238490 0.97 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240730 0.94 CCNE1 (0.51) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL1240727 0.94 CCNE1 (0.51) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2656940 0.92 CCNE1 (0.40) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL9072485 0.92 CCNE1 (0.40) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL2656315 0.92 CCNE1 (0.39) CCNE1CDK2CCNE2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US claimed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP claimed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO claimed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE1 3375/4885CDK2 381/4885CCNE2 2292/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CCNE1 3375/4885CDK2 381/4885CCNE2 2292/4885

“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.