SCHEMBL2668630

SCHEMBL2668630

COc1ccc(OCCCN(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.43
MAPT P10636 1/20 0.38
CCNB2 O95067 4/20 0.37
CCNE2 O96020 4/20 0.37
CDK1 P06493 4/20 0.37
CDK4 P11802 4/20 0.37
CCNB1 P14635 4/20 0.37
CCND1 P24385 4/20 0.37
CCNE1 P24864 4/20 0.37
CDK2 P24941 4/20 0.37
CCNB3 Q8WWL7 4/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A9 P48067 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1240919 0.92 GCK (0.42) GCKCCNB2CCNE2CDK1CDK4
SCHEMBL12828690 0.92 CCNE1 (0.41) GCKCCNB2CCNE2CDK1CDK4
SCHEMBL12204200 0.92 PPARG (0.40) GCKCCNB2CCNE2CDK1CDK4
SCHEMBL12828549 0.91 MEN1 (0.42) GCKMAPTCCNB2CCNE2CDK1
SCHEMBL12204206 0.91 KMT2A (0.40) GCKMAPTCCNB2CCNE2CDK1
SCHEMBL12828944 0.91 PPARA (0.44) GCKMAPTCCNB2CCNE2CDK1
SCHEMBL12906978 0.90 CCNE1 (0.40) GCKCCNB2CCNE2CDK1CDK4
SCHEMBL9071883 0.89 DDHD2 (0.42) PDE3BPDE3AP2RY12
SCHEMBL12828941 0.88 CCNE1 (0.41) GCKCCNB2CCNE2CDK1CDK4
SCHEMBL12828451 0.88 CCNE1 (0.43) CCNB2CCNE2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 GCK 1/4885MAPT 2360/4885CCNB2 2640/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 GCK 1/4885MAPT 2360/4885CCNB2 2640/4885

“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.