SCHEMBL2175869

SCHEMBL2175869

CC(C)COc1cc(/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.55
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44
CYP19A1 P11511 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 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
SCHEMBL2175872 1.00 GCK (0.55) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2180204 0.89 GCK (0.70) GCKKCNH2
SCHEMBL2180202 0.89 GCK (0.55) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2175619 0.87 GCK (0.53) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2175613 0.87 GCK (0.53) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2176564 0.83 SMN1; SMN2 (0.52) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2176556 0.83 SMN1; SMN2 (0.52) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2176457 0.82 NPC1 (0.54) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2176452 0.82 NPC1 (0.54) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2177361 0.81 GCK (0.53) GCKNPC1RAB9ASMN1; SMN2HPGD

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 1/4885ALDH1A1 998/4885NPC1 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.