SCHEMBL2178010

SCHEMBL2178010

CCCC(=O)Nc1cccc(CCc2cc(O[C@@H](C)COC)cc(C(=O)Nc3nccs3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.56
KCNH2 Q12809 1/20 0.54
ADORA2A P29274 2/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL2179571 0.92 GCK (0.57) GCKKCNH2ADORA2ANPC1HPGD
SCHEMBL2176502 0.91 GCK (0.58) GCKKCNH2ADORA2ACYP2C19CYP2C9
SCHEMBL2176334 0.91 GCK (0.56) GCKKCNH2NPSR1
SCHEMBL2178245 0.91 GCK (0.59) GCKKCNH2NPC1HPGDRAB9A
SCHEMBL2178644 0.90 GCK (0.58) GCKKCNH2NPC1HPGDRAB9A
SCHEMBL2179522 0.89 GCK (0.57) GCKKCNH2NPC1HPGDRAB9A
SCHEMBL2178007 0.89 ADORA2A (0.54) GCKADORA2ACYP2C19NPC1HPGD
SCHEMBL2177931 0.89 GCK (0.54) GCKKCNH2HPGDNPSR1
SCHEMBL2177666 0.89 GCK (0.55) GCKKCNH2NPC1HPGDRAB9A
SCHEMBL2178467 0.88 GCK (0.62) GCKKCNH2NPSR1

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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
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 1/4885KCNH2 1465/4885ADORA2A 1685/4885

“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.