SCHEMBL2647044

SCHEMBL2647044

O=C(O)CCNS(=O)(=O)c1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCNE1 P24864 4/20 0.35
CDK2 P24941 4/20 0.35
CDK5 Q00535 4/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CDK5R1 Q15078 1/20 0.34
TSHR P16473 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
SCHEMBL2647726 0.94 S1PR1 (0.37) S1PR1S1PR3S1PR5GAASMN1; SMN2
SCHEMBL2647722 0.94 S1PR1 (0.37) S1PR1S1PR3S1PR5GAASMN1; SMN2
SCHEMBL2648184 0.89 SMN1; SMN2 (0.37) S1PR1S1PR3GAASMN1; SMN2NPC1
SCHEMBL2648944 0.89 S1PR1 (0.35) S1PR1S1PR3S1PR5GAASMN1; SMN2
SCHEMBL2648938 0.89 S1PR1 (0.35) S1PR1S1PR3S1PR5GAASMN1; SMN2
SCHEMBL1000375 0.87 SMN1; SMN2 (0.38) S1PR1GAASMN1; SMN2NPC1RAB9A
SCHEMBL999541 0.86 SMN1; SMN2 (0.37) GAASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL998903 0.85 CCNE1 (0.36) S1PR1S1PR3GAASMN1; SMN2NPC1
SCHEMBL2649409 0.84 ALDH1A1 (0.36) S1PR1S1PR3GAASMN1; SMN2NPC1
SCHEMBL2649416 0.84 ALDH1A1 (0.36) S1PR1S1PR3GAASMN1; SMN2NPC1

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 9 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-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
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
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 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
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 S1PR1 4618/4885S1PR3 4696/4885S1PR5 4633/4885

“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.