SCHEMBL3490840

SCHEMBL3490840

Cc1nnc(-c2ccc3occ(-c4ccc(S(C)(=O)=O)cc4Cl)c3c2)o1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.55
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NOTUM Q6P988 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CA13 Q8N1Q1 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL3490023 0.90 GSK3B (0.53) GSK3BCA1CA2CA9CA12
SCHEMBL3492038 0.87 GSK3B (0.68) GSK3B
SCHEMBL3492804 0.83 GSK3B (0.60) GSK3BCA1CA2CA9MAOA
SCHEMBL3491612 0.82 GSK3B (0.59) GSK3BCA1CA2CA9CA12
SCHEMBL3490452 0.81 GSK3B (0.53) GSK3BNOTUMPIM1PIM2LMNA
SCHEMBL3490425 0.81 GSK3B (0.55) GSK3BSMN1; SMN2
SCHEMBL3491029 0.81 GSK3B (0.60) GSK3BCA1CA2PIM1PIM2
SCHEMBL3493574 0.81 GSK3B (0.54) GSK3BNOTUM
SCHEMBL3492069 0.79 GSK3B (0.50) GSK3BLMNAHPGDSMN1; SMN2
SCHEMBL3492368 0.79 GSK3B (0.53) GSK3BPIM1PIM2SMN1; SMN2

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 1/4885CA1 730/4885CA2 1210/4885

“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.