SCHEMBL4519736

SCHEMBL4519736

CCOC(=O)C(CC(=O)CBr)(NC(C)=O)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
KDM4E B2RXH2 1/20 0.62
THRB P10828 2/20 0.60
HTT P42858 2/20 0.58
MAPT P10636 3/20 0.54
ATM Q13315 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
FAAH O00519 1/20 0.33
MGAM O43451 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
SCHEMBL14282806 0.86 PKM (0.66) PKMKDM4ETHRBHTTMAPT
SCHEMBL12934291 0.82 PKM (0.70) PKMKDM4ETHRBHTTMAPT
SCHEMBL27299229 0.81 PKM (0.68) PKMKDM4ETHRBHTTMAPT
SCHEMBL22775064 0.80 PKM (0.62) PKMKDM4ETHRBHTTMAPT
SCHEMBL3827561 0.78 PKM (0.55) PKMKDM4ETHRBHTTMAPT
SCHEMBL12064248 0.78 PKM (0.75) PKMKDM4ETHRBHTTMAPT
SCHEMBL7295778 0.77 PKM (0.35) PKMKDM4ETHRBHTTMAPT
SCHEMBL24599226 0.77 PKM (0.81) PKMKDM4ETHRBHTTMAPT
SCHEMBL12934303 0.77 PKM (0.62) PKMKDM4ETHRBHTTMAPT
SCHEMBL8540155 0.75 PKM (0.84) PKMKDM4ETHRBHTTMAPT

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-7626022-B2 Racemic mixtures; oxidation; cyclization; crystallization CHIRACON GMBH (DE) 2009-12-01 US disclosed
US-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds CHIRACON GMBH (DE) 2005-04-14 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-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds AAAS, ASNS, AADAT PKM 1628/4885KDM4E 4443/4885THRB 1357/4885

“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.