SCHEMBL805253

SCHEMBL805253

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
ECE1 P42892 3/20 0.38
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
BMP1 P13497 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL17911703 1.00 ANPEP (0.41) ANPEPENPEPECE1SLC22A6GABRR1
SCHEMBL13851760 1.00 ANPEP (0.41) ANPEPENPEPECE1SLC22A6GABRR1
SCHEMBL585119 0.88 ANPEP (0.48) ANPEPENPEPSLC22A6GABRR1LMNA
SCHEMBL24115265 0.82 ALDH1A1 (0.39) ANPEPENPEPECE1LMNATDP1
SCHEMBL10065458 0.81 ANPEP (0.50) ANPEPENPEPECE1SLC22A6GABRR1
SCHEMBL26928533 0.79 SLC22A6 (0.36) ECE1SLC22A6GABRR1LMNACACNA2D1
SCHEMBL12118194 0.79 ANPEP (0.42) ANPEPENPEPSLC22A6GABRR1LMNA
SCHEMBL5199541 0.78 CRAT (0.39) ECE1SLC22A6GABRR1LMNABMP1
SCHEMBL13851587 0.78 ECE1 (0.40) ECE1SLC22A6GABRR1LMNACACNA2D1
SCHEMBL17772962 0.78 ECE1 (0.36) ECE1SLC22A6GABRR1LMNACACNA2D1

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-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT ANPEP 372/4885ENPEP 693/4885ECE1 1912/4885

“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.