SCHEMBL224241

SCHEMBL224241

NC(=O)[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 4/20 0.38
HTT P42858 1/20 0.37
DUT P33316 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNN4 O15554 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
MMP3 P08254 1/20 0.35
EPHX1 P07099 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
SCHEMBL1899106 0.86 NPSR1 (0.45) KMT2AKIF11NPSR1KCNN4
SCHEMBL2604614 0.86 NPSR1 (0.45) KMT2AKIF11NPSR1KCNN4
SCHEMBL993651 0.86 NPSR1 (0.45) KMT2AKIF11NPSR1KCNN4
SCHEMBL7718776 0.82 REN (0.42) CYP1A2CYP2D6MMP3
SCHEMBL993145 0.80 ALDH1A1 (0.47) KMT2AKIF11KCNN4CYP2D6
SCHEMBL346218 0.80 ALDH1A1 (0.47) KMT2AKIF11KCNN4CYP2D6
SCHEMBL993439 0.80 ALDH1A1 (0.47) KMT2AKIF11KCNN4CYP2D6
SCHEMBL4355319 0.80 HPGDS (0.47) NPSR1
SCHEMBL27429530 0.79 PTPN1 (0.41) MAPT
SCHEMBL28694554 0.78 ALDH1A1 (0.48) MAPTKMT2AKIF11NPSR1

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-20120004462-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US claimed
US-8093426-B2 2-tritylamino-3-(hydroxy or methoxy)propionic acid, or corresponding benzylamide thereof as chemical intermediate; chirally pure lacosamide; high purity RANBAXY LABORATORIES LIMITED (IN) 2012-01-10 US disclosed
US-20120004452-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
US-20120004462-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 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 (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-20120004452-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE HDAC2, HDAC5, SCN5A MAPT 3148/4885KMT2A 178/4885KIF11 1659/4885
US-20120004462-A1 INTERMEDIATE COMPOUNDS AND THEIR USE IN PREPARATION OF LACOSAMIDE HDAC2, HDAC5, SCN5A MAPT 3148/4885KMT2A 178/4885KIF11 1659/4885

“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.