SCHEMBL16549396

SCHEMBL16549396

CN[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)C(N)=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ FURIN P09958 1/20 0.32
▸ PCSK6 P29122 1/20 0.32
▸ CTSD P07339 4/20 0.32
▸ BACE1 P56817 4/20 0.32
▸ CTSE P14091 3/20 0.32
▸ LAP3 P28838 1/20 0.32
▸ CTSB P07858 2/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CACNA1B Q00975 2/20 0.32
▸ MMP2 P08253 2/20 0.31
▸ MMP9 P14780 2/20 0.31
▸ MMP8 P22894 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL16549357 0.82 BACE1 (0.38) FURINPCSK6CTSDBACE1CTSE
SCHEMBL16549401 0.82 BACE1 (0.38) FURINPCSK6CTSDBACE1CTSE
SCHEMBL30522092 0.79 ALDH1A1 (0.35) ALDH1A1CTSBCTSKCACNA1BMMP2
SCHEMBL21843036 0.78 BACE1 (0.36) ALDH1A1CTSDBACE1CTSECTSB
SCHEMBL15518242 0.77 CTSB (0.31) ALDH1A1CTSDBACE1CTSECTSB
SCHEMBL5336503 0.77 CTSB (0.31) ALDH1A1CTSDBACE1CTSECTSB
SCHEMBL17305536 0.77 ALDH1A1 (0.47) ALDH1A1CTSDLAP3CTSBCTSK
SCHEMBL30522096 0.77 ALDH1A1 (0.47) ALDH1A1CTSDLAP3CTSBCTSK
SCHEMBL17920203 0.77 MMP9 (0.43) ALDH1A1CTSBCTSKMMP2MMP9
SCHEMBL13521930 0.77 MMP9 (0.43) ALDH1A1CTSBCTSKMMP2MMP9

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-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 — — 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-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 ALDH1A1 4113/4885FURIN 4565/4885PCSK6 2977/4885

“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.

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