SCHEMBL2647778

SCHEMBL2647778

C[C@H]1CC[C@H](N(C(=O)Nc2ncc(S(=O)(=O)O)s2)C2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL2647782 1.00 SMN1; SMN2 (0.38) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2655326 0.93 SMN1; SMN2 (0.40) SMN1; SMN2NPC1GAARAB9AMAPT
SCHEMBL2647767 0.89 SMN1; SMN2 (0.37) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2647765 0.89 SMN1; SMN2 (0.37) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2647969 0.87 SMN1; SMN2 (0.36) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2648362 0.86 ALDH1A1 (0.39) SMN1; SMN2NPC1GAAALDH1A1L3MBTL1
SCHEMBL2649466 0.86 POLB (0.37) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2649468 0.86 POLB (0.37) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2650700 0.86 LMNA (0.36) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL2650697 0.86 LMNA (0.36) SMN1; SMN2NPC1GAARAB9AALDH1A1

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 SMN1; SMN2 4814/4885NPC1 2090/4885GAA 201/4885

“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.