SCHEMBL4551070

SCHEMBL4551070

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(=O)O)C(=O)NC(C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.66
BACE2 Q9Y5Z0 5/20 0.66
CTSD P07339 2/20 0.64
PTPN1 P18031 2/20 0.61

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
SCHEMBL4551069 1.00 BACE1 (0.66) BACE1BACE2CTSDPTPN1
SCHEMBL2801424 0.96 BACE1 (0.69) BACE1BACE2CTSDPTPN1
SCHEMBL2801988 0.96 BACE1 (0.69) BACE1BACE2CTSDPTPN1
SCHEMBL4398394 0.96 BACE1 (0.69) BACE1BACE2CTSDPTPN1
SCHEMBL4398402 0.96 BACE1 (0.69) BACE1BACE2CTSDPTPN1
SCHEMBL29382122 0.95 BACE1 (0.60) BACE1BACE2CTSDPTPN1
SCHEMBL29641835 0.93 BACE1 (0.69) BACE1BACE2CTSDPTPN1
SCHEMBL30804672 0.90 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL30658562 0.89 BACE1 (0.66) BACE1BACE2CTSDPTPN1
SCHEMBL30799944 0.88 PTPN1 (0.69) BACE1BACE2CTSDPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
EP-1986694-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS Novo Nordisk A/S (DK) 2008-11-05 EP disclosed
WO-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 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 (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-20090082254-A1 Coupling of Polypeptides at the C-Terminus PTMS, VIP, LNPEP BACE1 2172/4885BACE2 1764/4885CTSD 1568/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP BACE1 2172/4885BACE2 1764/4885CTSD 1568/4885

“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.