SCHEMBL3188658

SCHEMBL3188658

CCCCNC(=O)C(C)CC(O)C1C[C@H](C)CCCCCCCS(=O)(=O)CCCC(=O)N1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 14/20 0.75
BACE1 P56817 11/20 0.75
REN P00797 1/20 0.42

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
SCHEMBL3184974 0.96 CTSD (0.72) CTSDBACE1REN
SCHEMBL3260528 0.92 CTSD (0.68) CTSDBACE1REN
SCHEMBL3261066 0.87 CTSD (0.69) CTSDBACE1
SCHEMBL3263985 0.87 CTSD (0.69) CTSDBACE1
SCHEMBL3260979 0.87 CTSD (0.69) CTSDBACE1
SCHEMBL3259588 0.87 CTSD (0.69) CTSDBACE1
SCHEMBL3188958 0.86 CTSD (0.67) CTSDBACE1REN
SCHEMBL3197158 0.86 CTSD (1.00) CTSDBACE1
SCHEMBL3177680 0.86 CTSD (1.00) CTSDBACE1
SCHEMBL3177558 0.86 CTSD (1.00) CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 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 (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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 CTSD 789/4885BACE1 406/4885REN 167/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 CTSD 789/4885BACE1 406/4885REN 167/4885

“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.