SCHEMBL2176457

SCHEMBL2176457

Cc1ccc(C=Cc2cc(OCC(C)C)cc(C(=O)Nc3nccs3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.48
GCK P35557 14/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 2/20 0.46

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
SCHEMBL2176452 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2176805 0.91 GCK (0.52) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2176801 0.91 GCK (0.52) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2178114 0.87 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2178106 0.87 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2180468 0.85 GCK (0.52) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2180467 0.85 GCK (0.52) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2175619 0.85 GCK (0.53) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2175613 0.85 GCK (0.53) NPC1RAB9ASMN1; SMN2HPGDGCK
SCHEMBL2177361 0.84 GCK (0.53) NPC1RAB9ASMN1; SMN2HPGDGCK

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 NPC1 3351/4885RAB9A 3743/4885SMN1; SMN2 4303/4885

“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.