SCHEMBL2176174

SCHEMBL2176174

COC[C@H](C)Oc1cc(COC(C)=O)cc(C(=O)Nc2cnccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.51
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.47
KCNH2 Q12809 1/20 0.45
TSHR P16473 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL2175818 0.88 GCK (0.54) GCKRARARARBRARGKCNH2
SCHEMBL2178910 0.87 GCK (0.53) GCKRARARARBRARGKCNH2
SCHEMBL2176169 0.86 CHRNB2 (0.50) GCKTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL2179949 0.83 GCK (0.70) GCKRARARARBRARG
SCHEMBL2181201 0.80 GCK (0.71) GCKRARARARBRARG
SCHEMBL2178406 0.80 GCK (0.71) GCKRARARARB
SCHEMBL2177678 0.80 GCK (0.60) GCKRARARARBRARGKCNH2
SCHEMBL2176340 0.80 GCK (0.51) GCKRARARARBRARGKCNH2
SCHEMBL2179292 0.79 GCK (0.59) GCK
SCHEMBL2175024 0.77 GCK (0.63) GCK

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 2 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 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 1/4885RARA 3832/4885RARB 3345/4885

“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.