SCHEMBL5693676

SCHEMBL5693676

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.67
TLR2 O60603 1/20 0.62
NOD1 Q9Y239 5/20 0.57
DNM1 Q05193 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
FAAH O00519 2/20 0.51
MAPK1 P28482 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
NMT2 O60551 2/20 0.50
NMT1 P30419 2/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTSL P07711 1/20 0.48
PLA2G2C Q5R387 1/20 0.47

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
SCHEMBL22821587 1.00 SLC6A5 (0.67) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL12640054 1.00 SLC6A5 (0.67) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL9664106 1.00 SLC6A5 (0.67) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL9666267 1.00 SLC6A5 (0.67) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL18735588 1.00 SLC6A5 (0.67) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL9664216 1.00 SLC6A5 (0.67) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL9666062 0.98 SLC6A5 (0.65) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL9667026 0.95 SLC6A5 (0.61) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL22821589 0.95 SLC6A5 (0.61) SLC6A5TLR2NOD1DNM1MEN1
SCHEMBL9666574 0.95 SLC6A5 (0.61) SLC6A5TLR2NOD1DNM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664099-A2 ADENOVIRAL EPITOPES Pedersen, Niels Rudi (DK) 2006-06-07 EP claimed
WO-2005023848-A2 ADENOVIRAL EPITOPES GARDNER, REBECCA, KATHERINE (GB) 2005-03-17 WO claimed
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP claimed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO claimed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
WO-2015091130-A1 METHOD FOR IMPROVING THE RECOMBINANT PRODUCTION OF SOLUBLE FUSION POLYPEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 US disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
EP-1664099-A2 ADENOVIRAL EPITOPES Pedersen, Niels Rudi (DK) 2006-06-07 EP disclosed
WO-2005023848-A2 ADENOVIRAL EPITOPES GARDNER, REBECCA, KATHERINE (GB) 2005-03-17 WO disclosed
EP-1453853-A2 MIXTURE OF PEPTIDES ORIGINATING FROM A NEF PROTEIN AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-09-08 EP disclosed
US-20040115622-A1 Mixture of peptides originating from a Nef protein and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-06-17 US disclosed
WO-2002062834-A2 MIXTURE OF PEPTIDES ORIGINATING FROM A NEF PROTEIN AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2002-08-15 WO disclosed
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP disclosed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO 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 (1 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-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 SLC6A5 3188/4885TLR2 886/4885NOD1 613/4885

“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.