SCHEMBL3490994

SCHEMBL3490994

COC(=O)c1ccc2scc(-c3ccc(SC)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
UBE2N P61088 1/20 0.46
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL12365931 0.86 MAPT (0.52) L3MBTL1NPC1TDP1MAPTALDH1A1
SCHEMBL2815532 0.86 CA1 (0.50) NPC1MAPTALDH1A1ALOX15HTT
SCHEMBL12389733 0.85 CA1 (0.51) L3MBTL1TDP1MAPTALDH1A1TSHR
SCHEMBL12365933 0.85 PTGS1 (0.55) NPC1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3490263 0.84 ALDH1A1 (0.39) L3MBTL1UBE2NNPC1TDP1MAPT
SCHEMBL12366080 0.83 CYP46A1 (0.47) NPC1MAPTALDH1A1ALOX15HTT
SCHEMBL12365981 0.77 CYP11B1 (0.57) NPC1MAPTALDH1A1ALOX15SMN1; SMN2
SCHEMBL3491084 0.75 GSK3B (0.60) L3MBTL1UBE2NNPC1TDP1MAPT
SCHEMBL4198589 0.75 MAPT (0.49) L3MBTL1UBE2NNPC1TDP1MAPT
SCHEMBL21033456 0.74 MAPT (0.60) L3MBTL1NPC1TDP1MAPTALDH1A1

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 L3MBTL1 1352/4885UBE2N 3707/4885NPC1 1571/4885

“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.