SCHEMBL2649946

SCHEMBL2649946

CCCOC1CCC(N(C(=O)Nc2ncc(S(=O)(=O)NC3(C(=O)O)CCC3)s2)C2CCCCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL2649942 1.00 MAPT (0.33) MAPTMAPK1NPC1GAARAB9A
SCHEMBL2648257 0.86 SMN1; SMN2 (0.33) MAPTNPC1GAARAB9ASMN1; SMN2
SCHEMBL2648251 0.86 SMN1; SMN2 (0.33) MAPTNPC1GAARAB9ASMN1; SMN2
SCHEMBL2648898 0.86 MAPT (0.35) MAPTMAPK1NPC1GAARAB9A
SCHEMBL2648895 0.86 MAPT (0.35) MAPTMAPK1NPC1GAARAB9A
SCHEMBL2649907 0.85 SMN1; SMN2 (0.33) MAPTNPC1GAARAB9ASMN1; SMN2
SCHEMBL2649912 0.85 SMN1; SMN2 (0.33) MAPTNPC1GAARAB9ASMN1; SMN2
SCHEMBL2649200 0.85 MAPT (0.34) MAPTMAPK1NPC1GAARAB9A
SCHEMBL2648938 0.85 S1PR1 (0.35) MAPTMAPK1NPC1GAARAB9A
SCHEMBL2648944 0.85 S1PR1 (0.35) MAPTMAPK1NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 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
WO-2007006760-A1 DICYCLOALKYL 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 (1 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 MAPT 2197/4885MAPK1 1652/4885NPC1 2090/4885

“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.