SCHEMBL2178419

SCHEMBL2178419

COC[C@H](C)Oc1cc(CCc2ccc(NC(=O)Cc3ccccc3)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.57
KCNH2 Q12809 1/20 0.55
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
ADORA2A P29274 1/20 0.47
SCN3A Q9NY46 1/20 0.46
PKM P14618 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
SCHEMBL2176334 0.93 GCK (0.56) GCKKCNH2RARARARB
SCHEMBL2177414 0.92 GCK (0.60) GCKKCNH2RARARARBADORA2A
SCHEMBL2179715 0.91 GCK (0.59) GCKKCNH2RARARARB
SCHEMBL2178889 0.91 GCK (0.55) GCKKCNH2ADORA2A
SCHEMBL2177990 0.90 ADORA2A (0.60) GCKKCNH2ADORA2A
SCHEMBL2176502 0.89 GCK (0.58) GCKKCNH2ADORA2A
SCHEMBL2178415 0.89 SCN3A (0.49) GCKADORA2ASCN3APKM
SCHEMBL2176233 0.89 GCK (0.62) GCKKCNH2ADORA2A
SCHEMBL2178539 0.88 GCK (0.63) GCKKCNH2
SCHEMBL2176560 0.87 GCK (0.57) GCKKCNH2ADORA2A

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 1465/4885RARA 3832/4885

“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.