SCHEMBL2178536

SCHEMBL2178536

COCCCOc1cc(CCc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
GCK P35557 5/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
BRD4 O60885 1/20 0.47
HPGD P15428 1/20 0.46
ADORA2A P29274 2/20 0.46
MAPK1 P28482 1/20 0.46
AGER Q15109 1/20 0.46
HPGDS O60760 1/20 0.46
CYP2C9 P11712 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
SCHEMBL2177412 0.92 KCNK3 (0.53) RAB9ANPC1PTPN1PTPN11PTPN22
SCHEMBL2176230 0.92 AGER (0.57) RAB9ANPC1PTPN1PTPN11PTPN22
SCHEMBL2178574 0.90 MAPT (0.49) RAB9ANPC1PTPN1PTPN11PTPN22
SCHEMBL2180846 0.90 MAPT (0.49) RAB9ANPC1PTPN1PTPN11PTPN22
SCHEMBL2179714 0.89 AURKA (0.50) RAB9ANPC1GCKMAPTPOLB
SCHEMBL2176499 0.89 ADORA2A (0.62) RAB9ANPC1PTPN1PTPN11PTPN22
SCHEMBL2179784 0.88 SMN1; SMN2 (0.54) RAB9ANPC1GCKMAPTSMN1; SMN2
SCHEMBL2178539 0.88 GCK (0.63) RAB9ANPC1PTPN1PTPN11PTPN22
SCHEMBL2177984 0.88 ADORA2A (0.62) RAB9ANPC1GCKMAPTPOLB
Hydrochloric Acid SCHEMBL2178612 0.87 SMN1; SMN2 (0.53) RAB9ANPC1GCKMAPTSMN1; 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 RAB9A 3743/4885NPC1 3351/4885PTPN1 3534/4885

“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.