SCHEMBL4686555

SCHEMBL4686555

CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1cccc(OCCCCCC(=O)OC(C)(C)C)c1)NC(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
BACE1 P56817 12/20 0.45

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
SCHEMBL4686546 1.00 REN (0.49) RENBACE1
SCHEMBL4686549 1.00 REN (0.49) RENBACE1
SCHEMBL4619926 0.99 REN (0.50) RENBACE1
SCHEMBL4619921 0.99 REN (0.50) RENBACE1
SCHEMBL4619924 0.99 REN (0.50) RENBACE1
SCHEMBL4622350 0.97 REN (0.51) RENBACE1
SCHEMBL4620162 0.97 REN (0.51) RENBACE1
SCHEMBL4622353 0.97 REN (0.51) RENBACE1
SCHEMBL4622134 0.89 REN (0.55) RENBACE1
SCHEMBL4622135 0.89 REN (0.55) RENBACE1

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
US-20080070885-A1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2008-03-20 US disclosed
EP-1654241-B1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2008-03-19 EP disclosed
US-20060223745-A1 Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof BETSCHART CLAUDIA 2006-10-05 US disclosed
EP-1654241-A1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-10 EP disclosed
WO-2005003106-A1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-01-13 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-20060223745-A1 Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof BACE1, APP, ACE REN 54/4885BACE1 1/4885
US-20080070885-A1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF BACE1, APP, BACE2 REN 68/4885BACE1 1/4885

“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.