SCHEMBL999044

SCHEMBL999044

CC1CCC(N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCN(C(=O)N(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK2 P24941 14/20 0.38
CDK9 P50750 7/20 0.38
CDK7 P50613 2/20 0.38
CCNT1 O60563 2/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CCNA1 P78396 1/20 0.37
CCNE2 O96020 8/20 0.37
CCNE1 P24864 8/20 0.37
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CDK4 P11802 3/20 0.36
CCNB1 P14635 3/20 0.36
CCND1 P24385 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
HSF1 Q00613 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
SCHEMBL999042 1.00 ITK (0.42) ITKALDH1A1L3MBTL1CDK2CDK9
SCHEMBL2650090 0.92 MAPT (0.40) ITKCDK2CDK9CDK7CCNT1
SCHEMBL1002279 0.91 ITK (0.41) ITKALDH1A1L3MBTL1CDK2CDK9
SCHEMBL1002280 0.91 ITK (0.41) ITKALDH1A1L3MBTL1CDK2CDK9
SCHEMBL1002441 0.91 ALDH1A1 (0.51) ITKALDH1A1L3MBTL1CDK2CCNE2
SCHEMBL999326 0.91 ALDH1A1 (0.51) ITKALDH1A1L3MBTL1CDK2CCNE2
SCHEMBL12785933 0.90 ITK (0.41) ITKALDH1A1L3MBTL1CDK2CDK9
SCHEMBL2606465 0.90 CDK2 (0.43) ITKALDH1A1L3MBTL1CDK2CDK9
SCHEMBL1000526 0.89 CDK2 (0.52) ITKALDH1A1L3MBTL1CDK2CDK9
SCHEMBL1000527 0.89 CDK2 (0.52) ITKALDH1A1L3MBTL1CDK2CDK9

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 10 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS GCK, HK1, HK2 ITK 1313/4885ALDH1A1 1548/4885L3MBTL1 3760/4885
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 ITK 665/4885ALDH1A1 895/4885L3MBTL1 3555/4885
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 ITK 536/4885ALDH1A1 318/4885L3MBTL1 3840/4885
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 ITK 533/4885ALDH1A1 520/4885L3MBTL1 2702/4885

“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.