SCHEMBL1001607

SCHEMBL1001607

CCC(C(=O)O)c1nc(NC(=O)N(C2CCCCC2)C2CCCCC2)sc1-n1ccnc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A9 P48067 1/20 0.35
CD38 P28907 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ROCK2 O75116 2/20 0.32
PDE5A O76074 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS2 P35228 2/20 0.31
HTT P42858 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL1001605 0.81 CD38 (0.38) SLC6A9CD38
SCHEMBL2859759 0.80 SLC6A9 (0.37) MAPTMAPK1SLC6A9CD38ROCK2
SCHEMBL1000126 0.80 MAPT (0.33) MAPTMAPK1CYP2C19SMN1; SMN2HTT
SCHEMBL12314732 0.78 MAPT (0.38) MAPTMAPK1SLC6A9CYP1A2CYP3A4
SCHEMBL1001679 0.76 MAPT (0.46) MAPTMAPK1SLC6A9CD38ROCK2
SCHEMBL2647822 0.71 CD38 (0.39) MAPTMAPK1SLC6A9CD38CYP3A4
SCHEMBL999601 0.66 RAB9A (0.65) MAPTSMN1; SMN2
SCHEMBL2650390 0.66 LMNA (0.49) CYP1A2CYP2C9SMN1; SMN2
SCHEMBL997981 0.64 PLA2G1B (0.36) MAPTMAPK1SMN1; SMN2HTT
SCHEMBL1002438 0.64 ALDH1A1 (0.60) MAPTMAPK1SMN1; SMN2HTT

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-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-7598391-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2009-10-06 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 (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-20110060019-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS GCK, HK1, HK2 MAPT 1590/4885MAPK1 1372/4885SLC6A9 2742/4885
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 MAPT 2414/4885MAPK1 499/4885SLC6A9 2525/4885

“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.