SCHEMBL3492804

SCHEMBL3492804

Cc1nnc(-c2ccc3occ(-c4cccc(S(C)(=O)=O)c4)c3c2)o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.60
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
PIP4K2C Q8TBX8 1/20 0.44
ACVR1 Q04771 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
CCR9 P51686 1/20 0.40
ATR Q13535 1/20 0.39

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 0.89 GSK3B (0.68) GSK3B
SCHEMBL3493104 0.83 GSK3B (0.61) GSK3B
SCHEMBL8429603 0.83 MAOB (0.56) MAOBMAOAPIP4K2CALDH1A1NPC1
SCHEMBL3490840 0.83 GSK3B (0.55) GSK3BMAOBMAOACA1CA2
SCHEMBL3490534 0.82 GSK3B (0.72) GSK3BNPC1
SCHEMBL3492891 0.82 GSK3B (0.61) GSK3B
SCHEMBL3491706 0.82 GSK3B (0.61) GSK3BNPC1RAB9ACA1CA2
SCHEMBL3492088 0.82 GSK3B (0.59) GSK3B
SCHEMBL3491612 0.82 GSK3B (0.59) GSK3BALDH1A1RAB9ACA1CA2
SCHEMBL3491248 0.80 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 1/4885MAOB 1938/4885MAOA 3195/4885

“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.