SCHEMBL1107722

SCHEMBL1107722

CCOc1ccc(OCC)c(C(=O)Nc2nc(CP(=O)(OCC)OCC)cs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.54
KCNH2 Q12809 1/20 0.48
HTT P42858 3/20 0.44
MAPK1 P28482 4/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
PKM P14618 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
SCHEMBL1140305 0.89 ALDH1A1 (0.52) GCKKCNH2HTTMAPK1RAB9A
SCHEMBL1107558 0.76 KMT2A (0.55) GCKKCNH2HTTMAPK1MAPT
SCHEMBL1107536 0.74 KMT2A (0.52) GCKKCNH2HTTMAPK1RAB9A
SCHEMBL1107690 0.73 GCK (0.64) GCKKCNH2HTTMAPK1MAPT
SCHEMBL1107672 0.73 GCK (0.57) GCKKCNH2MAPK1RAB9AMAPT
SCHEMBL1107733 0.72 GCK (0.49) GCKKCNH2HTTMAPK1MAPT
SCHEMBL1107726 0.72 GCK (0.82) GCKKCNH2
SCHEMBL1133371 0.72 SMN1; SMN2 (0.46) GCKKCNH2HTTMAPK1RAB9A
SCHEMBL1107608 0.71 ALDH1A1 (0.50) GCKKCNH2HTTMAPK1RAB9A
SCHEMBL1107559 0.71 NPC1 (0.65) GCKKCNH2MAPK1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK GCK 3/4885KCNH2 921/4885HTT 3734/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 634/4885HTT 4076/4885

“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.