SCHEMBL16789728

SCHEMBL16789728

BCN(CCC)C(=S)[C@H](CC)NC(=O)CN(C)C(=O)[C@@H](N)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.32
▸ PSEN2 P49810 3/20 0.32
▸ APH1B Q8WW43 3/20 0.32
▸ NCSTN Q92542 3/20 0.32
▸ APH1A Q96BI3 3/20 0.32
▸ PSENEN Q9NZ42 3/20 0.32
▸ CTSK P43235 1/20 0.30

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
SCHEMBL15712051 0.83 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15334874 0.77 DPP4 (0.33) —
SCHEMBL19221657 0.74 F2 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15028069 0.73 DPP4 (0.48) —
SCHEMBL15386518 0.71 DPP4 (0.56) —
SCHEMBL13263476 0.71 DPP4 (0.56) —
SCHEMBL16387822 0.66 DPP4 (0.31) —
SCHEMBL8294195 0.62 DPP4 (0.37) —
SCHEMBL24633817 0.61 ALDH1A1 (0.36) —
SCHEMBL15712089 0.60 METAP2 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192646-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 — — US disclosed
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof BACH BIOSCIENCES, LLC 2015-06-11 — — 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-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD PSEN1 188/4885PSEN2 325/4885APH1B 217/4885

“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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