SCHEMBL2669461

SCHEMBL2669461

COc1ccc(CCCCN(C(=O)Nc2ncc(SCC(=O)O)s2)[C@H]2CC[C@H](C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CCNE2 O96020 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CCNB2 O95067 3/20 0.37
CDK1 P06493 3/20 0.37
CDK4 P11802 3/20 0.37
CCNB1 P14635 3/20 0.37
CCND1 P24385 3/20 0.37
CCNB3 Q8WWL7 3/20 0.37
C5AR1 P21730 1/20 0.36
PPARA Q07869 1/20 0.35
LTB4R Q15722 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL2658227 1.00 GCK (0.41) GCKTSHRLMNATP53MAPT
SCHEMBL10154343 0.98 GCK (0.42) GCKTSHRLMNATP53MAPT
SCHEMBL2659429 0.98 GCK (0.42) GCKTSHRLMNATP53MAPT
SCHEMBL2668705 0.95 GCK (0.43) GCKTSHRLMNATP53MAPT
SCHEMBL1238617 0.95 GCK (0.43) GCKTSHRLMNATP53MAPT
SCHEMBL9072485 0.91 CCNE1 (0.40) GCKTSHRLMNATP53MAPT
SCHEMBL1240919 0.91 GCK (0.42) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL2656940 0.91 CCNE1 (0.40) GCKTSHRLMNATP53MAPT
SCHEMBL2656550 0.91 CCNE1 (0.48) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL2656548 0.91 CCNE1 (0.48) GCKCCNE2CCNE1CDK2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 GCK 1/4885TSHR 4223/4885LMNA 3982/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 GCK 1/4885TSHR 4223/4885LMNA 3982/4885

“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.