SCHEMBL3492840

SCHEMBL3492840

Cc1nnc(-c2ccc3occ(-c4ccc(S(=O)(=O)Cc5ccccc5C#N)cc4)c3c2)o1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.53
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
QPCT Q16769 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3491066 0.85 GSK3B (0.59) GSK3BQPCTNPC1ALDH1A1HPGD
SCHEMBL3493258 0.83 GSK3B (0.52) GSK3BSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL3491248 0.83 GSK3B (0.65) GSK3B
SCHEMBL3492412 0.82 GSK3B (0.52) GSK3BSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL3491944 0.81 GSK3B (0.63) GSK3B
SCHEMBL3492985 0.80 GSK3B (0.62) GSK3B
SCHEMBL3492038 0.78 GSK3B (0.68) GSK3B
SCHEMBL3491150 0.78 CREBBP (0.49) GSK3BSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL3490534 0.77 GSK3B (0.72) GSK3BNPC1
SCHEMBL3491459 0.76 GSK3B (0.67) 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 1/4885SMN1; SMN2 1036/4885TP53 1018/4885

“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.