SCHEMBL4563085

SCHEMBL4563085

C=CCOC(=O)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
FGFR4 P22455 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
SCHEMBL57069 0.85 TSHR (0.52) MAPTCACNA1BAPBA1TSHRTDP1
Lithium SCHEMBL31366079 0.83 TSHR (0.50) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL8865453 0.83 TSHR (0.50) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL2208651 0.83 MAPT (0.47) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL4767550 0.81 TSHR (0.48) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL10435759 0.80 TSHR (0.53) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL527804 0.79 TSHR (0.47) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL2320799 0.79 TSHR (0.57) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL11334632 0.78 MAPT (0.43) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL175865 0.77 TSHR (0.46) MAPTCACNA1BAPBA1TSHRTDP1

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-20090299089-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOCARBOXYLIC ACID ESTERS BASF SE (DE) 2009-12-03 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-20090299089-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOCARBOXYLIC ACID ESTERS AADAC, AADAT, ACMSD MAPT 2449/4885CACNA1B 286/4885APBA1 285/4885

“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.