SCHEMBL18737337

SCHEMBL18737337

CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.39
CTSD P07339 8/20 0.39
CTSE P14091 8/20 0.39
ABCB1 P08183 2/20 0.38
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32

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
SCHEMBL17526955 0.95 BACE1 (0.41) BACE1CTSDCTSEABCB1
SCHEMBL18463911 0.90 BACE1 (0.37) BACE1CTSDCTSEABCB1
SCHEMBL1709985 0.90 BACE1 (0.38) BACE1CTSDCTSEABCB1
SCHEMBL23109986 0.90 BACE1 (0.39) BACE1CTSDCTSEABCB1MMP2
SCHEMBL31634286 0.85 ALDH1A1 (0.41) BACE1CTSDCTSE
SCHEMBL27742237 0.85 BACE1 (0.39) BACE1CTSDCTSEABCB1
SCHEMBL31634285 0.84 ALDH1A1 (0.40) BACE1CTSDCTSEABCB1
SCHEMBL22966090 0.84 BACE1 (0.35) BACE1CTSDCTSEABCB1MMP2
SCHEMBL21843036 0.84 BACE1 (0.36) BACE1CTSDCTSE
SCHEMBL16549357 0.83 BACE1 (0.38) BACE1CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 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 (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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 BACE1 2791/4885CTSD 1375/4885CTSE 2073/4885

“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.