SCHEMBL5720929

SCHEMBL5720929

CCCCCC(N)CC(=O)OCCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR4 O95977 4/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39
LAP3 P28838 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30998049 0.98 NAAA (0.47) NAAADGKAS1PR2S1PR1S1PR3
SCHEMBL5721004 0.93 NAAA (0.48) NAAADGKAS1PR2S1PR1S1PR3
SCHEMBL11421457 0.91 NAAA (0.56) NAAADGKAS1PR2S1PR1S1PR3
SCHEMBL8770739 0.91 NAAA (0.56) NAAADGKAS1PR2S1PR1S1PR3
SCHEMBL1140577 0.87 TP53 (0.44) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL3223213 0.87 TP53 (0.44) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL28682838 0.86 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL4931761 0.86 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL4935831 0.86 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL15775039 0.81 ZDHHC7 (0.46) S1PR2S1PR1S1PR3S1PR4ZDHHC7

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 NAAA 78/4885DGKA 3748/4885S1PR2 2543/4885

“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.