SCHEMBL264486

SCHEMBL264486

NCC(=O)NCC(=O)NCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.50
FAAH O00519 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
GABRR1 P24046 2/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
KDM4E B2RXH2 3/20 0.37
KDM5C P41229 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
GLRA1 P23415 1/20 0.36
SLC6A9 P48067 1/20 0.36
OR51E2 Q9H255 1/20 0.36
TERT O14746 1/20 0.36
TSHR P16473 2/20 0.35
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL13631859 1.00 ECE1 (0.50) ECE1FAAHCNR1CNR2GABRR1
SCHEMBL385127 0.91 ECE1 (0.58) ECE1FAAHCNR1CNR2GABRR1
SCHEMBL3185096 0.88 ATM (0.46) GABRR1ITGB3ITGA2BKDM4ETSHR
SCHEMBL7444117 0.86 PRMT1 (0.52) ITGB3ITGA2BTSHRLMNATHRB
Oxalic Acid SCHEMBL28780170 0.85 ECE1 (0.52) ECE1FAAHCNR1CNR2GABRR1
SCHEMBL23890277 0.83 TERT (0.36) ECE1TERTCA1CA2
SCHEMBL391787 0.82 GLRA1 (0.43) FAAHKDM4EGLRA1SLC6A9OR51E2
SCHEMBL6674893 0.82 GLRA1 (0.43) FAAHKDM4EGLRA1SLC6A9OR51E2
SCHEMBL1402291 0.82 GLRA1 (0.43) FAAHKDM4EGLRA1SLC6A9OR51E2
SCHEMBL391028 0.82 GLRA1 (0.43) FAAHKDM4EGLRA1SLC6A9OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283466-A1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES INSTITUT PASTEUR (FR) 2017-10-05 US disclosed
US-20140378652-A9 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-12-25 US disclosed
US-20140171618-A1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CENTRE MATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-19 US disclosed
CN-101821244-B Phenobarbital derivatives useful in immunoassay HOFFMANN LA ROCHE 2012-09-05 CN disclosed
US-8133743-B2 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-03-13 US disclosed
CN-101821244-A Phenobarbital derivatives useful in immunoassay HOFFMANN LA ROCHE 2010-09-01 CN disclosed
CN-101472945-A Saquinavir derivatives useful in immunoassay ROCHE DIAGNOSTICS GMBH (CH) 2009-07-01 CN disclosed
US-20090104713-A1 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2009-04-23 US disclosed
EP-1824883-A2 SAQUINAVIR DERIVATIVES USEFUL IN IMMUNOASSAY Roche Diagnostics GmbH (DE) 2007-08-29 EP disclosed
WO-2006061217-A2 SAQUINAVIR DERIVATIVES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2006-06-15 WO disclosed
US-6992177-B1 Saquinavir derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-01-31 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 (4 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-20090104713-A1 Phenobarbital derivatives useful in immunoassay PGM2, CYP4F2, CYP3A7 ECE1 2881/4885FAAH 623/4885CNR1 2187/4885
US-20170283466-A1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES MICA, NGLY1, CD4 ECE1 1965/4885FAAH 3921/4885CNR1 3865/4885
US-20140378652-A9 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CD4, MICA, MUC1 ECE1 1628/4885FAAH 3477/4885CNR1 3579/4885
US-20140171618-A1 METHOD FOR PREPARING MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE CONJUGATES CD4, MICA, MUC1 ECE1 1628/4885FAAH 3477/4885CNR1 3579/4885

“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.