SCHEMBL2176502

SCHEMBL2176502

CCCC(=O)Nc1ccc(CCc2cc(O[C@@H](C)COC)cc(C(=O)Nc3nccs3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.58
ADORA2A P29274 5/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.57
CYP2C9 P11712 1/20 0.52

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
SCHEMBL2178010 0.91 GCK (0.56) GCKADORA2ACYP2C19KCNH2CYP2C9
SCHEMBL2177990 0.91 ADORA2A (0.60) GCKADORA2ACYP2C19KCNH2
SCHEMBL2176233 0.90 GCK (0.62) GCKADORA2AKCNH2
SCHEMBL2178539 0.89 GCK (0.63) GCKKCNH2
SCHEMBL2178419 0.89 GCK (0.57) GCKADORA2AKCNH2
SCHEMBL2177414 0.89 GCK (0.60) GCKADORA2AKCNH2
SCHEMBL2176499 0.88 ADORA2A (0.62) GCKADORA2ACYP2C19CYP2C9
SCHEMBL2176560 0.88 GCK (0.57) GCKADORA2AKCNH2
SCHEMBL2179715 0.88 GCK (0.59) GCKKCNH2
SCHEMBL2178889 0.88 GCK (0.55) GCKADORA2AKCNH2

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 1/4885ADORA2A 1685/4885CYP2C19 2244/4885

“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.