SCHEMBL10165065

SCHEMBL10165065

COc1cc(CNC(=O)OC(C)(C)C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
AAK1 Q2M2I8 1/20 0.45
BRD4 O60885 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
NAMPT P43490 1/20 0.45
CHRM1 P11229 1/20 0.43
DYRK1A Q13627 1/20 0.43
KDM4A O75164 1/20 0.42
ATR Q13535 1/20 0.42
GLS O94925 1/20 0.42
MMP13 P45452 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6627378 0.87 L3MBTL1 (0.46) L3MBTL1BRD4NAMPTKDM4AGLS
SCHEMBL30392761 0.85 L3MBTL1 (0.48) L3MBTL1BRD4NAMPTKDM4AGLS
SCHEMBL13391259 0.85 L3MBTL1 (0.48) L3MBTL1BRD4NAMPTKDM4AGLS
SCHEMBL8226463 0.85 L3MBTL1 (0.44) L3MBTL1AAK1BRD4NAMPTKDM4A
SCHEMBL21591556 0.85 DYRK1A (0.46) LOXLOXL2AAK1GSK3BDYRK1A
SCHEMBL30400296 0.84 L3MBTL1 (0.43) L3MBTL1BRD4NAMPTKDM4AGLS
SCHEMBL10163771 0.83 L3MBTL1 (0.49) LOXLOXL2L3MBTL1AAK1BRD4
SCHEMBL30399922 0.83 L3MBTL1 (0.49) L3MBTL1BRD4NAMPTKDM4AATR
SCHEMBL15871964 0.83 BRD4 (0.49) L3MBTL1AAK1BRD4CDK2GSK3B
SCHEMBL30399925 0.83 L3MBTL1 (0.42) L3MBTL1AAK1BRD4NAMPTDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 LOX 1178/4885LOXL2 1949/4885L3MBTL1 4566/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 LOX 1178/4885LOXL2 1949/4885L3MBTL1 4566/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 LOX 1178/4885LOXL2 1949/4885L3MBTL1 4566/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 LOX 1178/4885LOXL2 1949/4885L3MBTL1 4566/4885

“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.