SCHEMBL2179715

SCHEMBL2179715

COC[C@H](C)Oc1cc(CCc2ccc(NC(=O)Nc3ccccc3)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.59
KCNH2 Q12809 1/20 0.57
AURKA O14965 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL2177414 0.94 GCK (0.60) GCKKCNH2RARARARBSMN1; SMN2
SCHEMBL2179522 0.94 GCK (0.57) GCKKCNH2AURKAPIM1CDK2
SCHEMBL2178419 0.91 GCK (0.57) GCKKCNH2RARARARB
SCHEMBL2176233 0.91 GCK (0.62) GCKKCNH2
SCHEMBL2178539 0.90 GCK (0.63) GCKKCNH2
SCHEMBL2176555 0.89 GCK (0.56) GCKKCNH2
SCHEMBL2177990 0.89 ADORA2A (0.60) GCKKCNH2
SCHEMBL2178845 0.88 GCK (0.60) GCKKCNH2
SCHEMBL2179714 0.88 AURKA (0.50) GCKAURKAPIM1CDK2GSK3B
SCHEMBL2180849 0.88 GCK (0.58) 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 1465/4885AURKA 1788/4885

“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.