SCHEMBL1000126

SCHEMBL1000126

CCC(C(=O)O)c1nc(NC(=O)N(C2CCCCC2)C2CCCCC2)sc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PI4KB Q9UBF8 2/20 0.31
CCR2 P41597 1/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL1001607 0.80 MAPT (0.35) MAPTMAPK1SMN1; SMN2CYP2C19HTT
SCHEMBL998960 0.76 GCK (0.41) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL12314733 0.73 ALDH1A1 (0.39) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL999936 0.70 MAPT (0.47) MAPTMAPK1TSHRALDH1A1HSD17B10
SCHEMBL999601 0.70 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL997981 0.70 PLA2G1B (0.36) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2650390 0.69 LMNA (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL1000437 0.69 NPC1 (0.44) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL1002438 0.68 ALDH1A1 (0.60) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17273915 0.67 AKR1C3 (0.32) POLB

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 1372/4885NPC1 1530/4885
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 499/4885NPC1 1253/4885

“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.