SCHEMBL2657541

SCHEMBL2657541

CC(C)(Sc1cnc(NC(=O)N(CCc2ccccc2)[C@H]2CC[C@H](C)CC2)s1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.45
CDK2 P24941 8/20 0.45
CCNE2 O96020 5/20 0.45
CDK5 Q00535 3/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 3/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ITK Q08881 1/20 0.37
GRM4 Q14833 1/20 0.37
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL2657543 1.00 CCNE1 (0.45) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2657971 0.96 CCNE1 (0.43) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2657970 0.96 CCNE1 (0.43) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2658347 0.95 CCNE1 (0.42) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2658349 0.95 CCNE1 (0.42) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2656520 0.93 CCNE1 (0.37) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2656517 0.93 CCNE1 (0.37) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2661478 0.92 PPARA (0.39) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2661479 0.92 PPARA (0.39) CCNE1CDK2CCNE2CDK5ADORA2A
SCHEMBL2656403 0.92 PPARA (0.43) CCNE1CDK2CCNE2CDK5ADORA2A

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 16 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-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-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-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

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.