SCHEMBL2176801

SCHEMBL2176801

CC(C)COc1cc(/C=C/c2ccc(F)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADORA2A P29274 3/20 0.47
KCNH2 Q12809 1/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 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
SCHEMBL2176805 1.00 GCK (0.52) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2176457 0.91 NPC1 (0.54) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2176452 0.91 NPC1 (0.54) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2177365 0.91 GCK (0.53) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2177361 0.91 GCK (0.53) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2175613 0.88 GCK (0.53) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2180467 0.88 GCK (0.52) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2175619 0.88 GCK (0.53) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2180468 0.88 GCK (0.52) GCKNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2175780 0.87 GCK (0.70) GCKKCNH2

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 1/4885NPC1 3351/4885RAB9A 3743/4885

“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.