SCHEMBL5652634

SCHEMBL5652634

CC(C)(C)OC(=O)C(C(O)C(=O)O)C(N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 1/20 0.37
AOC3 Q16853 1/20 0.37
DPP4 P27487 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC7A5 Q01650 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL5650824 1.00 ATM (0.38) ATML3MBTL1LMNAHIF1AKDM4E
SCHEMBL28301558 0.87 ADRA2A (0.40) ATML3MBTL1LMNAHIF1AKDM4E
SCHEMBL15630763 0.86 DPP4 (0.43) ATML3MBTL1LMNAHIF1AKDM4E
SCHEMBL6896070 0.86 DPP4 (0.43) ATML3MBTL1LMNAHIF1AKDM4E
SCHEMBL27610060 0.86 CES2 (0.38) LMNAHIF1AKDM4EDPP4SLC7A5
SCHEMBL27660598 0.85 ATM (0.38) ATML3MBTL1LMNAHIF1AKDM4E
SCHEMBL27892297 0.82 AAK1 (0.36) ATML3MBTL1LTA4HAOC3DPP4
SCHEMBL27564999 0.81 DPP4 (0.42) ATML3MBTL1AOC3DPP4KMT2A
SCHEMBL27665873 0.81 DPP4 (0.42) ATML3MBTL1AOC3DPP4KMT2A
SCHEMBL4937584 0.81 DPP4 (0.42) ATML3MBTL1AOC3DPP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US disclosed
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound KANEKA CORPORATION (JP) 2004-09-16 US disclosed
US-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2004-03-11 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 (2 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-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives AASDHPPT, HPD, HAAO ATM 2574/4885L3MBTL1 2670/4885LMNA 1551/4885
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 ATM 3529/4885L3MBTL1 3055/4885LMNA 881/4885

“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.