Sugi Predict

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SCHEMBL1240919

SCHEMBL1240919

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.42
▸ KMT2A Q03164 1/20 0.38
▸ CCNE2 O96020 6/20 0.37
▸ CCNE1 P24864 6/20 0.37
▸ CDK2 P24941 6/20 0.37
▸ 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
▸ CSNK2A2 P19784 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAP3K8 P41279 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 2/20 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
SCHEMBL1238604 0.93 CCNE1 (0.42) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL1240433 0.93 LTA4H (0.40) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL2668630 0.92 GCK (0.43) GCKKMT2ACCNE2CCNE1CDK2
SCHEMBL10154343 0.92 GCK (0.42) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL2659429 0.92 GCK (0.42) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL2669461 0.91 GCK (0.41) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL2658227 0.91 GCK (0.41) GCKCCNE2CCNE1CDK2CCNB2
SCHEMBL1238738 0.91 MEN1 (0.40) GCKKMT2ACCNE2CCNE1CDK2
SCHEMBL1238498 0.91 CCNE2 (0.35) GCKKMT2ACCNE2CCNE1CDK2
SCHEMBL1238617 0.91 GCK (0.43) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 — — US disclosed
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 — — US disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 — — EP disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 — — US disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 — — US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 — — US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 — — US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 — — US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 — — 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 (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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 GCK 1/4885KMT2A 1200/4885CCNE2 1371/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 GCK 1/4885KMT2A 1200/4885CCNE2 1371/4885

“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.