SCHEMBL3450100

SCHEMBL3450100

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCCCS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
UCHL1 P09936 1/20 0.35
ALPL P05186 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 1/20 0.34
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL3449126 0.95 GSK3A (0.36) GSK3AGSK3BUCHL1ALPLKMT2A
SCHEMBL3450157 0.82 GSK3A (0.38) GSK3AGSK3BUCHL1ALPLMAPT
SCHEMBL3448579 0.80 UCHL1 (0.38) GSK3AGSK3BUCHL1KMT2ADGAT1
SCHEMBL3450902 0.80 AAK1 (0.40) GSK3AGSK3BUCHL1ALPLKMT2A
SCHEMBL3448303 0.79 MEN1 (0.39) GSK3AGSK3BUCHL1KMT2AKDM4E
SCHEMBL21198942 0.79 GSK3A (0.42) GSK3AGSK3BUCHL1KMT2AKDM4E
SCHEMBL29604376 0.79 GSK3A (0.42) GSK3AGSK3BUCHL1KMT2AKDM4E
SCHEMBL3448994 0.78 UCHL1 (0.38) GSK3AGSK3BUCHL1ALPLKMT2A
SCHEMBL3450019 0.78 CNR2 (0.44) KMT2AKDM4EALDH1A1MEN1TSHR
SCHEMBL3449001 0.75 GSK3A (0.36) GSK3AGSK3BUCHL1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD GSK3A 3194/4885GSK3B 2904/4885UCHL1 4062/4885

“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.