SCHEMBL5720971

SCHEMBL5720971

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.46
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
CHRM4 P08173 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
GAA P10253 1/20 0.41
TOP2A P11388 1/20 0.41
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27682265 1.00 LMNA (0.49) LMNAALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1138690 1.00 LMNA (0.49) LMNAALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5697642 0.91 TSHR (0.49) LMNAALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5720836 0.91 TSHR (0.49) LMNAALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1138682 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP2D6GAAKMT2A
SCHEMBL1138729 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP2D6GAAKMT2A
SCHEMBL1143911 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP2D6GAAKMT2A
SCHEMBL5720901 0.86 ALDH1A1 (0.40) LMNAALDH1A1CHRM1SMN1; SMN2KMT2A
SCHEMBL5720907 0.86 ESR1 (0.50) LMNAALDH1A1CHRM2CHRM1SMN1; SMN2
SCHEMBL1138714 0.86 TSHR (0.47) ALDH1A1CHRM2CHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101040053-B Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES 2013-04-24 CN disclosed
CN-102994606-A Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES 2013-03-27 CN disclosed
CN-101040053-A Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES (JP) 2007-09-19 CN disclosed
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 LMNA 3246/4885ALDH1A1 258/4885CHRM2 2424/4885

“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.