SCHEMBL13733494

SCHEMBL13733494

COc1ccc(B(O)O)c2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.36
PDE4B Q07343 5/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
STS P08842 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CFTR P13569 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
ENPP2 Q13822 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MTNR1A P48039 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
SCHEMBL13732899 0.83 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL16337908 0.77 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL12422266 0.77 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL8211914 0.74 FABP4 (0.46) BUB1BCHEL3MBTL1
SCHEMBL29992759 0.74 FABP4 (0.46) BUB1BCHEL3MBTL1
SCHEMBL23863654 0.74 BUB1 (0.36) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL3902857 0.73 L3MBTL1 (0.40) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL31729948 0.73 BUB1 (0.38) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL16336927 0.72 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL299986 0.72 HTR6 (0.38) BUB1PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS BUB1 1987/4885PDE4B 3238/4885PDE4A 2883/4885

“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.