SCHEMBL5828526

SCHEMBL5828526

C[C@H](Nn1nnc2ccc(C(=O)O)cc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 18/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50

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
SCHEMBL5828225 0.92 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL5828536 0.83 APAF1 (0.54) HPGD
SCHEMBL6184550 0.77 HCAR3 (0.80) HCAR3HPGDHCAR2
SCHEMBL503400 0.73 TDP1 (0.44) HCAR3HPGDHCAR2
SCHEMBL7588376 0.73 TDP1 (0.44) HCAR3HPGDHCAR2
SCHEMBL1256199 0.73 HCAR3 (0.76) HCAR3HPGDHCAR2
SCHEMBL2852713 0.71 HSD17B10 (0.56) HCAR3HPGDHCAR2
SCHEMBL7232454 0.70 HCAR3 (0.53) HCAR3HPGDHCAR2
SCHEMBL11391092 0.70 HCAR3 (0.53) HCAR3HPGDHCAR2
SCHEMBL6182902 0.70 HCAR3 (0.78) HCAR3HPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCAR3 3857/4885HPGD 1041/4885HCAR2 3214/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 HCAR3 4197/4885HPGD 979/4885HCAR2 3656/4885

“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.