SCHEMBL2177412

SCHEMBL2177412

COCCCOc1cc(CCc2ccc(NC(=O)c3ccccc3)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
ADORA2A P29274 6/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
SCD O00767 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AGER Q15109 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GCK P35557 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
SCHEMBL2179714 0.94 AURKA (0.50) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2178536 0.92 RAB9A (0.51) NPC1RAB9ASMN1; SMN2HPGDADORA2A
SCHEMBL2178415 0.91 SCN3A (0.49) NPC1RAB9ASMN1; SMN2HPGDADORA2A
SCHEMBL2180846 0.91 MAPT (0.49) NPC1RAB9ASMN1; SMN2ADORA2ACYP2C19
SCHEMBL2178574 0.91 MAPT (0.49) NPC1RAB9ASMN1; SMN2HPGDADORA2A
SCHEMBL2178641 0.91 KCNK3 (0.58) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2176230 0.91 AGER (0.57) NPC1RAB9ASMN1; SMN2HPGDADORA2A
SCHEMBL2178840 0.88 PTPN1 (0.51) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL2177414 0.88 GCK (0.60) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2176499 0.88 ADORA2A (0.62) NPC1RAB9ASMN1; SMN2HPGDADORA2A

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 KCNK3 409/4885KCNK9 507/4885NPC1 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.