SCHEMBL5828815

SCHEMBL5828815

O=C(O)[C@H](CS)Nc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GAA P10253 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ FNTA P49354 2/20 0.40
▸ FNTB P49356 2/20 0.40
▸ HTT P42858 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL28071904 1.00 CYP2C19 (0.42) CYP2C19MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL1032798 0.85 CYP2C19 (0.43) CYP2C19MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL1032800 0.85 CYP2C19 (0.43) CYP2C19MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL7739887 0.81 NAALAD2 (0.46) CYP2C19GAAKMT2AMEN1HSD17B10
SCHEMBL7607064 0.81 MME (0.48) FOLH1
SCHEMBL7607068 0.81 MME (0.48) FOLH1
SCHEMBL29159326 0.80 MEN1 (0.45) MAPTGAAKMT2AMEN1HSD17B10
SCHEMBL27548953 0.78 MMP2 (0.42) CYP2C19MAPTKDM4ESMN1; SMN2GAA
SCHEMBL10670688 0.77 GAA (0.47) CYP2C19MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL11386076 0.75 RAB9A (0.54) CYP2C19KDM4ESMN1; SMN2KMT2AMEN1

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-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
CN-105377878-B New RhtB protein variant and the method for generating O- phosphoserine using it CJ第制糖株式会社 2018-12-18 — — CN disclosed
WO-2013029648-A1 NEW AMINOACID COMPOUNDS FOR TREATING TUMOURS AND AUTOIMMUNE DISEASES ARKE' ORGANICS S.R.L. (IT) 2013-03-07 — — WO disclosed
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
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 CYP2C19 1418/4885MAPT 4195/4885KDM4E 1903/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 CYP2C19 1585/4885MAPT 3988/4885KDM4E 2753/4885

“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.

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