SCHEMBL4884767

SCHEMBL4884767

CCOC(=O)[C@H](O)[C@H](N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
DPP4 P27487 2/20 0.43
GAA P10253 1/20 0.43
METAP2 P50579 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6156033 1.00 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4881723 1.00 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4881722 1.00 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL4881666 0.98 PIN1 (0.50) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4450071 0.86 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5652736 0.84 MMP8 (0.47) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL16746620 0.84 NPC1 (0.50) NPC1SMN1; SMN2TSHRPOLB
SCHEMBL5651686 0.84 MMP8 (0.47) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL27813870 0.83 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL23342965 0.82 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A

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-20080249310-A1 Process For the Preparation of (2R,3R)-2-Hydroxy-3-Amino-3-Aryl-Propionamide and (2R,3R)-2-Hydroxy-3-Amino-3-Aryl-Propionic Acid Alkyl Ester DSM IP ASSETS B.V. (NL) 2008-10-09 US disclosed
EP-1831150-A1 PROCESS FOR THE PREPARATION OF (2R, 3R)-2-HYDROXY-3-AMINO-3-ARYL-PROPIONAMIDE AND (2R, 3R)-2-HYDROXY-3-AMINO-3-ARYL-PROPIONIC ACID ALKYL ESTER DSMIP Assets B.V. (NL) 2007-09-12 EP disclosed
WO-2006008170-A1 PROCESS FOR THE PREPARATION OF (2R, 3R)-2-HYDROXY-3-AMINO-3-ARYL-PROPIONAMIDE AND (2R, 3R)-2-HYDROXY-3-AMINO-3-ARYL-PROPIONIC ACID ALKYL ESTER DSM IP ASSETS B.V. (NL) 2006-01-26 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-20080249310-A1 Process For the Preparation of (2R,3R)-2-Hydroxy-3-Amino-3-Aryl-Propionamide and (2R,3R)-2-Hydroxy-3-Amino-3-Aryl-Propionic Acid Alkyl Ester GRHPR, B3GAT3, HCAR3 MMP8 4427/4885PIN1 1434/4885MEN1 4188/4885

“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.