SCHEMBL3493689

SCHEMBL3493689

COC(=O)c1ccc(SC)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.59
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 5/20 0.47
LMNA P02545 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
P4HB P07237 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45

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
SCHEMBL17290700 0.82 MEN1 (0.45) NOTUMMEN1KMT2AL3MBTL1TDP1
SCHEMBL752590 0.82 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL17290750 0.82 KIF11 (0.47) NOTUMALDH1A1MAPTHPGDLMNA
SCHEMBL14012580 0.82 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL1997248 0.82 NOTUM (0.73) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL197395 0.81 NOTUM (0.62) NOTUMKDM4EALDH1A1MAPTLMNA
SCHEMBL10907300 0.80 NOTUM (0.66) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL10323691 0.80 NOTUM (0.48) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL10322560 0.79 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL21882576 0.79 MAPT (0.51) NOTUMKDM4EALDH1A1MAPTHPGD

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 NOTUM 992/4885KDM4E 1112/4885ALDH1A1 1473/4885

“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.