SCHEMBL4043492

SCHEMBL4043492

CC(C)(C)CCNC(=O)[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.39
MMP8 P22894 2/20 0.37
CCKBR P32239 1/20 0.36
LAP3 P28838 2/20 0.36
ACE P12821 1/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
REN P00797 1/20 0.35

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
SCHEMBL4041195 0.88 MMP1 (0.41) VNN1MMP8ACEREN
SCHEMBL4040963 0.85 REN (0.47) MMP8REN
SCHEMBL3936972 0.85 REN (0.47) MMP8REN
SCHEMBL4039170 0.84 HPGD (0.41) MMP8ACE
SCHEMBL4044987 0.83 MMP8 (0.51) MMP8
SCHEMBL4039656 0.78 HDAC1 (0.42)
SCHEMBL4342649 0.76 SMN1; SMN2 (0.52)
SCHEMBL4047233 0.75 CHRND (0.44)
SCHEMBL5730463 0.75 REN (0.41) REN
SCHEMBL4071248 0.74 CYP3A4 (0.50) VNN1MMP8LAP3ACEANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641801-B9 BRIDGED N-ARYLSULFONYLPIPERIDINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORP (US) 2009-02-25 EP claimed
EP-1641801-B1 BRIDGED N-ARYLSULFONYLPIPERIDINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORP (US) 2008-07-16 EP claimed
US-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US claimed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 US claimed
EP-1641801-B9 BRIDGED N-ARYLSULFONYLPIPERIDINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORP (US) 2009-02-25 EP disclosed
EP-1641801-B1 BRIDGED N-ARYLSULFONYLPIPERIDINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORP (US) 2008-07-16 EP 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-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 VNN1 3743/4885MMP8 1094/4885CCKBR 3005/4885

“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.