SCHEMBL2657048

SCHEMBL2657048

CC1CCC(N(CCCSc2ccccc2)C(=O)Nc2ncc(SCCC(=O)O)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.43
CDK2 P24941 9/20 0.43
CCNE2 O96020 8/20 0.43
NPSR1 Q6W5P4 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.37
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
ITK Q08881 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CDK5 Q00535 1/20 0.35
GRM4 Q14833 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL2657041 1.00 CCNE1 (0.43) CCNE1CDK2CCNE2NPSR1ADORA2A
SCHEMBL1241729 0.92 CCNE1 (0.41) CCNE1CDK2CCNE2NPSR1ADORA2A
SCHEMBL2655750 0.92 CCNE1 (0.41) CCNE1CDK2CCNE2NPSR1ADORA2A
SCHEMBL1240578 0.91 CCNE1 (0.42) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240543 0.89 CCNE1 (0.54) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240541 0.89 CCNE1 (0.54) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240779 0.89 CDK2 (0.39) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240781 0.89 CDK2 (0.39) CCNE1CDK2CCNE2ADORA2AADORA1
SCHEMBL1240750 0.88 CCNE1 (0.43) CCNE1CDK2CCNE2NPSR1ADORA2A
SCHEMBL2656933 0.88 CDK2 (0.39) CCNE1CDK2CCNE2NPSR1ADORA2A

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 9 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-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-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.