SCHEMBL2661765

SCHEMBL2661765

NC(=S)Nc1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.52
MAP2K4 P45985 3/20 0.51
MAPK1 P28482 2/20 0.50
MAPKAPK3 Q16644 2/20 0.50
MAPK6 Q16659 2/20 0.50
MAPKAPK2 P49137 1/20 0.50
GSK3B P49841 2/20 0.49
KIF11 P52732 3/20 0.47
TRPA1 O75762 3/20 0.46
NTRK1 P04629 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ1 P51787 1/20 0.43
SCN5A Q14524 1/20 0.43
ULK1 O75385 1/20 0.42
CCR2 P41597 4/20 0.41
KCNH2 Q12809 4/20 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
SCHEMBL11703556 0.81 FADS1 (0.58) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2660218 0.78 PDPK1 (0.54) FADS1GSK3BNTRK1ULK1
SCHEMBL2660083 0.78 FADS1 (0.54) FADS1GSK3BTRPA1NTRK1
SCHEMBL628596 0.78 FADS1 (0.58) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL14528922 0.77 CCR2 (0.56) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL6476809 0.76 GSK3B (0.82) GSK3B
SCHEMBL1461489 0.76 GSK3B (0.53) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL15484243 0.76 GSK3B (0.53) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL1461487 0.76 GSK3B (0.53) FADS1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2662164 0.75 NTRK1 (0.52) GSK3BNTRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 FADS1 1868/4885MAP2K4 967/4885MAPK1 1276/4885

“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.