SCHEMBL1240556

SCHEMBL1240556

CC(C)(Sc1cnc(NC(=O)N(CCOCc2ccccc2Cl)[C@H]2CC[C@H](C)CC2)s1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CDK2 P24941 10/20 0.34
▸ CCNE1 P24864 5/20 0.34
▸ CCNE2 O96020 4/20 0.34
▸ CDK1 P06493 3/20 0.34
▸ CCNB1 P14635 3/20 0.34
▸ CCNB2 O95067 2/20 0.34
▸ CCNB3 Q8WWL7 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2657324 0.92 CDK2 (0.36) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL2657326 0.92 CDK2 (0.36) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL2658201 0.91 PLK1 (0.36) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL1238734 0.91 ADORA2A (0.35) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL2658203 0.91 PLK1 (0.36) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL2659007 0.90 CCNE1 (0.41) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL2659010 0.90 CCNE1 (0.41) ADORA2AADORA1CDK2CCNE1CCNE2
SCHEMBL2658377 0.90 PPARG (0.35) LMNASMN1; SMN2CDK2CCNE1CCNE2
SCHEMBL2658372 0.90 PPARG (0.35) LMNASMN1; SMN2CDK2CCNE1CCNE2
SCHEMBL1241276 0.90 CDK2 (0.36) ADORA2AADORA1LMNANPC1RAB9A

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 17 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 claimed
EP-1904467-B1 Urea glucokinase activators NOVO NORDISK AS (DK) 2013-05-01 — — EP claimed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 — — US claimed
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-1904467-B1 Urea glucokinase activators NOVO NORDISK AS (DK) 2013-05-01 — — EP disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 — — EP 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-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
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 — — EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 — — 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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ADORA2A 1245/4885ADORA1 2218/4885LMNA 3732/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ADORA2A 1245/4885ADORA1 2218/4885LMNA 3732/4885

“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.

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