SCHEMBL2653549

SCHEMBL2653549

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 9/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
GCK P35557 1/20 0.49
HCAR3 P49019 1/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL2649798 0.87 GCK (0.61) GCK
SCHEMBL2653357 0.86 NPC1 (0.56) DEGS1RAB9AGCKNPC1SMN1; SMN2
SCHEMBL2650854 0.84 MEN1 (0.51) DEGS1MEN1KMT2ARECQLRAB9A
SCHEMBL2661226 0.84 CYP3A4 (0.51) DEGS1MEN1KMT2AGCKCYP3A4
SCHEMBL5430262 0.84 GCK (0.72) DEGS1MEN1KMT2AGCK
SCHEMBL27451977 0.84 HCAR3 (0.69) DEGS1GCKHCAR3
SCHEMBL2654159 0.83 GCK (0.57) GCK
SCHEMBL2662189 0.83 GCK (0.57) GCK
SCHEMBL14505713 0.82 HCAR3 (0.72) DEGS1MEN1KMT2ARAB9AMAPK1
SCHEMBL6795856 0.82 DEGS1 (0.70) DEGS1MEN1KMT2ARAB9AGCK

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-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

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 DEGS1 1275/4885CA12 3164/4885CA1 3255/4885
US-20040214868-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK DEGS1 456/4885CA12 4001/4885CA1 3192/4885

“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.