SCHEMBL5720909

SCHEMBL5720909

CCCOC(=O)CC(N)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CYP2D6 P10635 1/20 0.41
UGT2B7 P16662 1/20 0.41
GLA P06280 1/20 0.40
TPH1 P17752 1/20 0.40
AOC3 Q16853 2/20 0.40
TNF P01375 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
PPARD Q03181 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.38

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
SCHEMBL21284320 0.89 GAA (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL2294505 0.83 TNF (0.45) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL27682265 0.83 LMNA (0.49) CYP2D6ALDH1A1GAALMNA
SCHEMBL1138690 0.83 LMNA (0.49) CYP2D6ALDH1A1GAALMNA
SCHEMBL5720971 0.83 LMNA (0.49) CYP2D6ALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL6778876 0.82 TNF (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5720852 0.80 L3MBTL1 (0.52) AOC3ALDH1A1
SCHEMBL5720885 0.80 KYNU (0.43) SLC6A2SLC6A3ALDH1A1GAALMNA
SCHEMBL5720868 0.80 TDP1 (0.40) AOC3ALDH1A1LMNA
SCHEMBL5720979 0.80 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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 SLC6A2 2305/4885SLC6A4 1553/4885SLC6A3 1274/4885

“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.