SCHEMBL9954476

SCHEMBL9954476

CC(O)(C(N)=O)[C@H](N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
PTGS1 P23219 1/20 0.54
TSHR P16473 1/20 0.36
SLC7A5 Q01650 2/20 0.36
KMT2A Q03164 2/20 0.33
GRIK1 P39086 1/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL1009125 0.84 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TSHRSLC7A5
SCHEMBL11848713 0.84 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TSHRSLC7A5
SCHEMBL30621981 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1TSHRSLC7A5
SCHEMBL2783864 0.79 MAPT (0.54) ALDH1A1MAPTPTGS1TSHRSLC7A5
SCHEMBL8982556 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1TSHRSLC7A5
SCHEMBL8982557 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1TSHRSLC7A5
SCHEMBL223813 0.78
SCHEMBL223812 0.78
SCHEMBL254738 0.78
SCHEMBL27548159 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 US claimed
WO-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 WO claimed
US-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 US disclosed
WO-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 WO 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-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 ALDH1A1 993/4885MAPT 2537/4885PTGS1 1736/4885

“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.