SCHEMBL17899496

SCHEMBL17899496

CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.63
PSEN2 P49810 5/20 0.63
APH1B Q8WW43 5/20 0.63
NCSTN Q92542 5/20 0.63
APH1A Q96BI3 5/20 0.63
PSENEN Q9NZ42 5/20 0.63
APP P05067 1/20 0.63
REN P00797 9/20 0.58
KLK5 Q9Y337 2/20 0.51
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
CTSD P07339 1/20 0.48

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
SCHEMBL11095014 0.91 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27041288 0.91 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23302438 0.91 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725527 0.91 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22393402 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28525265 0.88 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28525268 0.88 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28525267 0.88 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20506597 0.87 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20506599 0.87 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A

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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP PSEN1 393/4885PSEN2 616/4885APH1B 330/4885

“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.