SCHEMBL2664748

SCHEMBL2664748

CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.64
RARA P10276 1/20 0.58
RARB P10826 1/20 0.58
RARG P13631 1/20 0.58
KCNH2 Q12809 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
ADORA2A P29274 1/20 0.52
BRD4 O60885 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL2664728 0.94 GCK (0.60) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL2664576 0.88 GCK (0.63) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL2664564 0.87 GCK (0.62) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL2176809 0.86 RAB9A (0.56) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL2176835 0.85 GCK (0.55) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL1426929 0.85 GCK (0.64) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL2176466 0.84 SMN1; SMN2 (0.52) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL2664578 0.84 GCK (0.61) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL1426855 0.84 GCK (0.63) GCKKCNH2SMN1; SMN2NPC1HPGD
SCHEMBL9070865 0.83 SMN1; SMN2 (0.50) GCKKCNH2SMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 US 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 (2 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-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 GCK 2/4885RARA 3925/4885RARB 3902/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 GCK 2/4885RARA 3925/4885RARB 3902/4885

“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.