SCHEMBL2651052

SCHEMBL2651052

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.57
RARA P10276 3/20 0.57
RARB P10826 3/20 0.57
RARG P13631 2/20 0.57
DEGS1 O15121 2/20 0.47
MAOB P27338 1/20 0.45
CXCR2 P25025 1/20 0.43

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
SCHEMBL2651412 0.95 GCK (0.63) GCKRARARARBRARGMAOB
SCHEMBL2650016 0.90 GCK (0.58) GCKRARARARBRARGMAOB
SCHEMBL5430262 0.87 GCK (0.72) GCKRARARARBRARGDEGS1
SCHEMBL2650573 0.86 GCK (0.54) GCKRARARARBRARG
SCHEMBL2666296 0.85 GCK (0.77) GCKRARARARBRARG
SCHEMBL1146549 0.84 MAOB (0.55) MAOB
SCHEMBL2653357 0.82 NPC1 (0.56) GCKRARARARBRARGDEGS1
SCHEMBL14190698 0.81 GCK (0.59) GCKRARARARBRARGMAOB
SCHEMBL2653549 0.81 DEGS1 (0.57) GCKDEGS1
SCHEMBL2652506 0.81 GCK (0.81) GCKRARARARBRARGCXCR2

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.