SCHEMBL2654600

SCHEMBL2654600

O=C(Nc1ncc(C(=O)O)s1)C(=CC1CCCC1)c1ccc(SC2CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CNR2 P34972 1/20 0.33
SCD O00767 1/20 0.33
FFAR2 O15552 1/20 0.32
LCK P06239 1/20 0.32
HCAR3 P49019 1/20 0.32
CCNE1 P24864 3/20 0.31
CDK2 P24941 3/20 0.31
CDK5 Q00535 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2654599 1.00 GCK (0.35) GCKDDB1CRBNCNR2SCD
SCHEMBL2654467 0.87 GCK (0.36) GCKLCKCCNE1CDK2SMN1; SMN2
SCHEMBL2654470 0.87 GCK (0.36) GCKLCKCCNE1CDK2SMN1; SMN2
SCHEMBL2653268 0.80 GCK (0.41) GCKCNR2FFAR2
SCHEMBL2653520 0.80 GCK (0.41) GCKCNR2FFAR2
SCHEMBL2652611 0.79 DDB1 (0.39) DDB1CRBNHCAR3SMN1; SMN2ALDH1A1
SCHEMBL2652614 0.79 DDB1 (0.39) DDB1CRBNHCAR3SMN1; SMN2ALDH1A1
SCHEMBL2654512 0.77 GCK (0.38) GCKFFAR2CCNE1CDK2CDK5
SCHEMBL2654509 0.77 GCK (0.38) GCKFFAR2CCNE1CDK2CDK5
SCHEMBL5381844 0.77 GCK (0.41) GCKFFAR2SMN1; SMN2

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-7262196-B2 Tri(cyclo) substituted amide glucokinase activator compounds PROSIDION LIMITED (GB) 2007-08-28 US disclosed
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 EP disclosed
US-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds OSI PHARMACEUTICALS, INC. 2004-09-23 US disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 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-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds GCKR, GCK, GALK1 GCK 2/4885DDB1 4201/4885CRBN 4161/4885

“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.