SCHEMBL998816

SCHEMBL998816

CC(C)(C)C1CCC(NC2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALPL P05186 2/20 0.33
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
ADH4 P08319 1/20 0.32
HTT P42858 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
SCHEMBL2649578 0.98 EPHX1 (0.62) EPHX1ALDH1A1HSD17B10EPHX2SMN1; SMN2
SCHEMBL2647957 0.98 EPHX1 (0.62) EPHX1ALDH1A1HSD17B10EPHX2SMN1; SMN2
SCHEMBL6061347 0.92 EPHX1 (0.48) EPHX1ALDH1A1HSD17B10EPHX2ALPL
SCHEMBL999461 0.83 EPHX1 (0.42) EPHX1ALDH1A1HSD17B10EPHX2ALPL
SCHEMBL24429446 0.79 EPHX1 (0.40) EPHX1ALDH1A1EPHX2ALPLMEN1
SCHEMBL22570229 0.79 EPHX1 (0.40) EPHX1ALDH1A1EPHX2ALPLMEN1
SCHEMBL26513234 0.79 EPHX1 (0.40) EPHX1ALDH1A1EPHX2ALPLMEN1
SCHEMBL24549609 0.79 EPHX1 (0.40) EPHX1ALDH1A1EPHX2ALPLMEN1
SCHEMBL19771072 0.79 EPHX1 (0.40) EPHX1ALDH1A1HSD17B10ADH1BADH1C
SCHEMBL9358965 0.78 ALDH1A1 (0.75) EPHX1ALDH1A1HSD17B10EPHX2SMN1; SMN2

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-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
US-8263634-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2012-09-11 US disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed
US-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2011-03-10 US disclosed
US-7872139-B2 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2011-01-18 US disclosed
US-7851636-B2 {2-[3-Cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial; antidiabetic agents NOVO NORDISK A/S (DK) 2010-12-14 US disclosed
US-20100204288-A1 {2-[3-Cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial; antidiabetic agents NOVO NORDISK A/S (DK) 2010-08-12 US disclosed
US-7598391-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2009-10-06 US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2009-08-27 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 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 (5 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 EPHX1 4485/4885ALDH1A1 3782/4885HSD17B10 1699/4885
US-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS GCK, HK1, HK2 EPHX1 3937/4885ALDH1A1 1548/4885HSD17B10 675/4885
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 EPHX1 2664/4885ALDH1A1 895/4885HSD17B10 1704/4885
US-20100204288-A1 {2-[3-Cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial; antidiabetic agents GCK, GCKR, HK1 EPHX1 3406/4885ALDH1A1 318/4885HSD17B10 404/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 EPHX1 4148/4885ALDH1A1 520/4885HSD17B10 1182/4885

“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.