SCHEMBL2177984

SCHEMBL2177984

COCCCOc1cc(CCc2ccc(NC(=O)CC(C)C)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.62
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.46
GCK P35557 6/20 0.46
KCNH2 Q12809 1/20 0.45
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AGER Q15109 1/20 0.43

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
SCHEMBL2179567 0.91 ADORA2A (0.55) ADORA2ACYP2C9GCKKCNH2MAPT
SCHEMBL2177990 0.90 ADORA2A (0.60) ADORA2ACYP2C19GCKKCNH2
SCHEMBL2176499 0.89 ADORA2A (0.62) ADORA2ACYP2C9CYP2C19GCKNPC1
SCHEMBL2176230 0.89 AGER (0.57) ADORA2ACYP2C9CYP2C19GCKKCNH2
SCHEMBL2178536 0.88 RAB9A (0.51) ADORA2ACYP2C9GCKKCNH2POLB
SCHEMBL2178415 0.87 SCN3A (0.49) ADORA2ACYP2C9CYP2C19GCKNPC1
SCHEMBL2177412 0.87 KCNK3 (0.53) ADORA2ACYP2C9CYP2C19GCKPOLB
SCHEMBL2179714 0.86 AURKA (0.50) ADORA2ACYP2C9CYP2C19GCKPOLB
SCHEMBL2178887 0.86 ADORA2A (0.46) ADORA2ACYP2C9CYP2C19GCKPOLB
SCHEMBL2180846 0.85 MAPT (0.49) ADORA2ACYP2C9CYP2C19GCKCYP2D6

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 ADORA2A 1685/4885CYP2C9 2499/4885CYP2C19 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.