SCHEMBL2178788

SCHEMBL2178788

COCCCOc1cc(CCc2ccccc2NS(C)(=O)=O)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.49
KCNH2 Q12809 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL2179701 0.91 GCK (0.47) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2177037 0.89 RAB9A (0.46) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2178790 0.89 GCK (0.60) GCKKCNH2
SCHEMBL2176615 0.85 SMN1; SMN2 (0.51) GCKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2178979 0.85 GCK (0.51) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2180022 0.85 RAB9A (0.48) GCKKCNH2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2178390 0.85 RAB9A (0.47) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2176271 0.82 SMN1; SMN2 (0.53) GCKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2178840 0.81 PTPN1 (0.51) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2178843 0.81 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 1465/4885NPC1 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.