SCHEMBL2648898

SCHEMBL2648898

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL2648895 1.00 MAPT (0.35) MAPTMAPK1S1PR1S1PR3ALDH1A1
SCHEMBL2648944 0.92 S1PR1 (0.35) MAPTMAPK1S1PR1S1PR3ALDH1A1
SCHEMBL2648938 0.92 S1PR1 (0.35) MAPTMAPK1S1PR1S1PR3ALDH1A1
SCHEMBL2648184 0.88 SMN1; SMN2 (0.37) MAPTMAPK1S1PR1S1PR3NPC1
SCHEMBL30378260 0.88 MAPT (0.37) MAPTMAPK1S1PR1S1PR3ALDH1A1
SCHEMBL2649200 0.87 MAPT (0.34) MAPTMAPK1ALDH1A1NPC1GAA
SCHEMBL2649203 0.87 MAPT (0.34) MAPTMAPK1ALDH1A1NPC1GAA
SCHEMBL2649416 0.87 ALDH1A1 (0.36) MAPTMAPK1S1PR1S1PR3ALDH1A1
SCHEMBL2649409 0.87 ALDH1A1 (0.36) MAPTMAPK1S1PR1S1PR3ALDH1A1
SCHEMBL2649946 0.86 MAPT (0.33) MAPTMAPK1ALDH1A1NPC1GAA

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 1652/4885S1PR1 4618/4885

“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.