SCHEMBL2178845

SCHEMBL2178845

COC[C@H](C)Oc1cc(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.60
KCNH2 Q12809 1/20 0.60
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
MEN1 O00255 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
SCHEMBL2178843 0.90 GCK (0.58) GCKKCNH2
SCHEMBL2178840 0.89 PTPN1 (0.51) GCKKCNH2PTPN1PTPN11PTPN22
SCHEMBL2177414 0.89 GCK (0.60) GCKKCNH2
SCHEMBL2179715 0.88 GCK (0.59) GCKKCNH2
SCHEMBL2178419 0.86 GCK (0.57) GCKKCNH2
SCHEMBL2176233 0.86 GCK (0.62) GCKKCNH2
SCHEMBL2178539 0.85 GCK (0.63) GCKKCNH2PTPN1PTPN11PTPN22
SCHEMBL2179788 0.84 GCK (0.64) GCKKCNH2
SCHEMBL2177990 0.83 ADORA2A (0.60) GCKKCNH2
Hydrochloric Acid SCHEMBL2178615 0.83 GCK (0.63) 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 1/4885KCNH2 1465/4885PTPN1 3534/4885

“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.