SCHEMBL5720952

SCHEMBL5720952

Cc1ccccc1[C@H](N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 16/20 0.47
▸ ACP3 P15309 1/20 0.43
▸ GABBR2 O75899 1/20 0.43
▸ GABBR1 Q9UBS5 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
SCHEMBL2320843 1.00 CTSA (0.47) CTSAACP3GABBR2GABBR1
SCHEMBL2320833 1.00 CTSA (0.47) CTSAACP3GABBR2GABBR1
Hydrochloric Acid SCHEMBL14108447 0.98 CTSA (0.46) CTSAACP3
Hydrochloric Acid SCHEMBL14108446 0.98 CTSA (0.46) CTSAACP3
SCHEMBL4277846 0.85 CTSA (0.42) CTSA
SCHEMBL14108456 0.85 ALDH1A1 (0.45) CTSAACP3
SCHEMBL2794839 0.84 CTSA (0.49) CTSAACP3GABBR2GABBR1
SCHEMBL658439 0.82 GABBR2 (0.48) CTSAACP3GABBR2GABBR1
SCHEMBL30781885 0.82 GABBR2 (0.48) CTSAACP3GABBR2GABBR1
SCHEMBL5327684 0.82 CTSA (0.43) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSA 742/4885ACP3 662/4885GABBR2 274/4885

“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.

Send feedback