SCHEMBL2650573

SCHEMBL2650573

COC(=O)c1ccc(NC(=O)c2cc(OCc3cc(C)on3)cc(OCc3ccccc3C)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.54
RARA P10276 3/20 0.54
RARB P10826 3/20 0.54
RARG P13631 2/20 0.54
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
PAX8 Q06710 1/20 0.43
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5451958 0.92 GCK (0.65) GCKRARARARBRARG
SCHEMBL2651412 0.91 GCK (0.63) GCKRARARARBRARG
SCHEMBL2650016 0.86 GCK (0.58) GCKRARARARBRARG
SCHEMBL2651052 0.86 GCK (0.57) GCKRARARARBRARG
SCHEMBL5421905 0.85 GCK (0.58) GCKRARARARBRARGNPC1
SCHEMBL9071663 0.83 GCK (0.53) GCKRARARARBRARGNPC1
SCHEMBL2666296 0.82 GCK (0.77) GCKRARARARBRARG
SCHEMBL14190698 0.78 GCK (0.59) GCKRARARARBRARG
SCHEMBL2652506 0.78 GCK (0.81) GCKRARARARBRARG
SCHEMBL5419201 0.77 GCK (0.68) GCKRARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1404335-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS Astrazeneca AB (SE) 2004-04-07 EP disclosed
WO-2003000267-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS ASTRAZENECA AB (SE) 2003-01-03 WO disclosed
WO-2003000267-A1 AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS ASTRAZENECA AB (SE) 2003-01-03 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 (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-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK GCK 1/4885RARA 3103/4885RARB 3070/4885
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK GCK 1/4885RARA 2675/4885RARB 2807/4885

“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.