SCHEMBL5828536

SCHEMBL5828536

C[C@H](Nn1nnc2ccccc21)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
CYP4Z1 Q86W10 9/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP4F8 P98187 1/20 0.49
CYP4F12 Q9HCS2 1/20 0.49
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MGAM O43451 3/20 0.45
AMY1A P0DUB6 3/20 0.45
GAA P10253 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45
F2 P00734 1/20 0.45
HPGD P15428 1/20 0.45
SLC9A1 P19634 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL5828526 0.83 HCAR3 (0.50) HPGD
SCHEMBL238589 0.81 CYP4Z1 (0.50) APAF1POLBCYP4Z1CYP1A2CYP2C8
SCHEMBL5828225 0.80 HCAR3 (0.60) HPGD
SCHEMBL9882895 0.79 CYP4Z1 (0.50) APAF1POLBCYP4Z1CYP1A2CYP2C8
SCHEMBL16335870 0.78 CYP4Z1 (0.48) APAF1POLBCYP4Z1CYP1A2CYP2C8
SCHEMBL5790948 0.73 POLB (0.57) APAF1POLBCYP1A2KMT2AKDM4E
SCHEMBL5827487 0.72 KDM4E (0.42) APAF1POLBKMT2AKDM4ERAB9A
SCHEMBL7173837 0.72 KDM4E (0.42) APAF1POLBKMT2AKDM4ERAB9A
SCHEMBL1757405 0.71 CYP4Z1 (0.50) POLBCYP4Z1CYP1A2CYP2C8CYP2B6
SCHEMBL1757403 0.71 CYP4Z1 (0.50) POLBCYP4Z1CYP1A2CYP2C8CYP2B6

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 12 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
EP-1191106-A1 Verfahren zur fermentativen Herstellung von nicht-proteinogenen L-Aminosäuren Consortium für elektrochemische Industrie GmbH (DE) 2002-03-27 EP 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
EP-1191106-B1 Process for the fermentative preparation of non-proteinogenic L-amino acids CONSORTIUM ELEKTROCHEM IND (DE) 2004-04-28 EP disclosed
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-04-04 US disclosed
EP-1191106-A1 Verfahren zur fermentativen Herstellung von nicht-proteinogenen L-Aminosäuren Consortium für elektrochemische Industrie GmbH (DE) 2002-03-27 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 (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 2972/4885CYP4Z1 361/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 APAF1 1011/4885POLB 2545/4885CYP4Z1 299/4885

“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.