SCHEMBL2179567

SCHEMBL2179567

COCCCOc1cc(CCc2cccc(NC(=O)CC(C)C)c2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.55
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.45
GCK P35557 6/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2177984 0.91 ADORA2A (0.62) ADORA2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2179571 0.91 GCK (0.57) ADORA2ANPSR1NPC1RAB9AHPGD
SCHEMBL2178007 0.89 ADORA2A (0.54) ADORA2ANPSR1NPC1RAB9AHPGD
SCHEMBL2176330 0.89 KCNK3 (0.48) NPSR1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2178241 0.89 RAB9A (0.49) NPSR1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2178641 0.88 KCNK3 (0.58) ADORA2ANPSR1NPC1RAB9AHPGD
SCHEMBL2179516 0.88 KCNK3 (0.50) NPSR1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2177930 0.87 MEN1 (0.48) ADORA2ANPSR1NPC1RAB9AHPGD
SCHEMBL2180616 0.86 KDM4E (0.51) ADORA2ANPSR1NPC1RAB9AHPGD
SCHEMBL2178466 0.86 KCNK3 (0.48) NPSR1NPC1RAB9AHPGDSMN1; SMN2

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 1685/4885NPSR1 4674/4885NPC1 3351/4885

“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.