SCHEMBL3491163

SCHEMBL3491163

CS(=O)(=O)c1nnc(-c2ccc3c(c2)CCO3)o1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.50
▸ NOTUM Q6P988 2/20 0.49
▸ DYRK1A Q13627 1/20 0.48
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL3490039 0.77 GSK3B (0.66) GSK3BDYRK1A
SCHEMBL22471887 0.76 DYRK1A (0.61) GSK3BNOTUMDYRK1ANPC1MAPT
SCHEMBL1395948 0.76 GSK3B (0.55) GSK3BNOTUMDYRK1ANPC1MAPT
SCHEMBL3493530 0.76 GSK3B (0.73) GSK3B
SCHEMBL13435542 0.75 NPC1 (0.62) GSK3BDYRK1ANPC1MAPTKDM4E
SCHEMBL3491930 0.73 GSK3B (0.61) GSK3BNOTUMDYRK1ANPC1MAPT
SCHEMBL9681661 0.70 NPC1 (0.55) NOTUMNPC1MAPTKDM4ERAB9A
SCHEMBL8164691 0.70 PKM (0.57) DYRK1APTGS1PTGS2MAPTKDM4E
SCHEMBL3491221 0.70 GSK3B (0.60) GSK3BDYRK1AKDM4E
SCHEMBL19173086 0.70 NOTUM (0.50) GSK3BNOTUMPTGS2MAPTKDM4E

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 1/4885NOTUM 992/4885DYRK1A 965/4885

“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.

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