SCHEMBL2666946

SCHEMBL2666946

COc1ccccc1C(=O)NNC(N)=S

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.71
RAB9A P51151 6/20 0.69
NPC1 O15118 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 2/20 0.65
CTSD P07339 1/20 0.65
CA1 P00915 1/20 0.60
CA9 Q16790 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL27766567 0.87 CTSD (0.65) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL6324990 0.86 KLKB1 (0.57) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL11245542 0.81 CA1 (0.62) STAT3RAB9AGAALMNACA1
SCHEMBL12857990 0.81 STAT3 (0.73) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL23084665 0.81 STAT3 (0.72) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL6453448 0.80 NPC1 (1.00) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL12387872 0.80 RAB9A (0.73) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL11272638 0.79 CTSD (0.69) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL295407 0.79 CTSD (1.00) STAT3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL13527481 0.79 CTSD (0.73) STAT3RAB9ANPC1SMN1; SMN2GAA

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-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 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 (2 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-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 STAT3 1741/4885RAB9A 3614/4885NPC1 2902/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 STAT3 1741/4885RAB9A 3614/4885NPC1 2902/4885

“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.