SCHEMBL2176835

SCHEMBL2176835

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.55
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
BRD4 O60885 1/20 0.50
MAPT P10636 1/20 0.50
ADORA2A P29274 2/20 0.49
KCNH2 Q12809 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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 0.91 GCK (0.60) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2176466 0.90 SMN1; SMN2 (0.52) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2664578 0.88 GCK (0.61) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2176809 0.85 RAB9A (0.56) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2664748 0.85 GCK (0.64) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2177748 0.85 GCK (0.71) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2177746 0.84 GCK (0.54) GCKRAB9ANPC1SMN1; SMN2HPGD
Bromide SCHEMBL2175824 0.83 GCK (0.50) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1492953 0.79 RAB9A (0.53) GCKRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2664719 0.79 RAB9A (0.51) GCKRAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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 (1 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 GCK 1/4885RAB9A 3743/4885NPC1 3351/4885

“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.