SCHEMBL5827952

SCHEMBL5827952

O=C(O)[C@H](CS)Nc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.56
NCS1 P62166 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
POLB P06746 1/20 0.52
ADORA1 P30542 1/20 0.51
DYRK1A Q13627 1/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.51
SCD O00767 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51

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
SCHEMBL13408929 1.00 CSNK1D (0.56) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4453323 0.89 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4453326 0.89 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4458533 0.86 NPC1 (0.59) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457418 0.85 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457424 0.85 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457160 0.84 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9009337 0.84 CSNK1D (0.56) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457168 0.84 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL5367050 0.83 NPC1 (0.52) CSNK1DNCS1SMN1; SMN2NPC1RAB9A

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 10 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
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 CSNK1D 2678/4885NCS1 2812/4885SMN1; SMN2 4860/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 CSNK1D 1856/4885NCS1 2925/4885SMN1; SMN2 4872/4885

“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.