SCHEMBL5828539

SCHEMBL5828539

N[C@@H](Cn1nnc2ccccc21)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.69
POLB P06746 1/20 0.69
EGLN3 Q9H6Z9 1/20 0.57
GAA P10253 7/20 0.56
MGAM O43451 6/20 0.56
AMY1A P0DUB6 6/20 0.56
SI P14410 6/20 0.56
MGAM2 Q2M2H8 6/20 0.56
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 2/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
SLC9A1 P19634 2/20 0.51
GRM2 Q14416 1/20 0.51
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.48

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
SCHEMBL27349798 0.88 APAF1 (0.61) APAF1POLBEGLN3GAAMGAM
SCHEMBL21304645 0.86 APAF1 (0.75) APAF1POLBEGLN3GAAMGAM
SCHEMBL5828228 0.85 APAF1 (0.58) APAF1POLBEGLN3GAAMGAM
SCHEMBL10142232 0.83 APAF1 (0.56) APAF1POLBEGLN3GAAMGAM
SCHEMBL9772257 0.81 APAF1 (0.59) APAF1POLBEGLN3GAAMGAM
SCHEMBL240665 0.79 APAF1 (0.66) APAF1POLBEGLN3GAAMGAM
SCHEMBL29393597 0.79 APAF1 (0.66) APAF1POLBEGLN3GAAMGAM
SCHEMBL23774830 0.78 APAF1 (0.76) APAF1POLBEGLN3GAAMGAM
SCHEMBL972935 0.77 APAF1 (0.62) APAF1POLBEGLN3GAAMGAM
SCHEMBL13729890 0.76 APAF1 (0.78) APAF1POLBEGLN3GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222426-A1 Non-proteinogenic L-amino acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-10-06 US claimed
US-20040197879-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2004-10-07 US claimed
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-04-04 US claimed
US-7015331-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2006-03-21 US disclosed
US-20050222426-A1 Non-proteinogenic L-amino acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-10-06 US disclosed
US-6939967-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2005-09-06 US disclosed
US-20040197879-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2004-10-07 US disclosed
US-6756216-B2 BATCH PROCESSING USING NUCLEOPHILIC COMPOUND Consortium für elektrochemische Industrie GmbH (DE) 2004-06-29 US disclosed
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-04-04 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 (2 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-20050222426-A1 Non-proteinogenic L-amino acids BCAT2, BCAT1, CBS APAF1 1306/4885POLB 2972/4885EGLN3 3686/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 APAF1 1011/4885POLB 2545/4885EGLN3 3673/4885

“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.