SCHEMBL3490857

SCHEMBL3490857

Cc1nnc(-c2cnc3occ(-c4ccc(S(C)(=O)=O)cc4)c3c2)o1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.47
PTGS2 P35354 6/20 0.41
MAPK14 Q16539 2/20 0.41
PTGS1 P23219 2/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
PDE4D Q08499 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PDE4B Q07343 1/20 0.38
MAP4K4 O95819 2/20 0.38
FYN P06241 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL3492038 0.83 GSK3B (0.68) GSK3B
SCHEMBL3492198 0.82 GSK3B (0.45) GSK3BMAPK14CAMKK2
SCHEMBL3492513 0.82 GSK3B (0.47) GSK3BMAPK14CAMKK2
SCHEMBL3492769 0.79 GSK3B (0.51) GSK3BPTGS2MAPK14PTGS1ABCC4
SCHEMBL3491971 0.76 NPC1 (0.40) GSK3BPIM1PIM2CAMKK2
SCHEMBL2271504 0.75 MAP4K4 (0.65) MAP4K4FYNMINK1TNIKPIK3CA
SCHEMBL3490840 0.73 GSK3B (0.55) GSK3BPIM1PIM2PDE4B
SCHEMBL3492540 0.73 GSK3B (0.43) GSK3BPTGS2MAPK14PTGS1PIM1
SCHEMBL3492804 0.72 GSK3B (0.60) GSK3B
SCHEMBL3491248 0.72 GSK3B (0.65) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885PTGS2 3150/4885MAPK14 340/4885

“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.