SCHEMBL20828024

SCHEMBL20828024

CC[C@H](C)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)C(=O)N[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.55
▸ CTSL P07711 1/20 0.53
▸ NPY4R P50391 12/20 0.53
▸ NPY1R P25929 8/20 0.53
▸ NPY5R Q15761 6/20 0.53
▸ NPY2R P49146 5/20 0.53
▸ CTSB P07858 2/20 0.52
▸ CTSK P43235 2/20 0.52

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
SCHEMBL20827913 1.00 CAPN1 (0.55) CAPN1CTSLNPY4RNPY1RNPY5R
SCHEMBL20827875 1.00 CAPN1 (0.55) CAPN1CTSLNPY4RNPY1RNPY5R
SCHEMBL20827895 0.96 CTSK (0.52) CAPN1CTSLCTSBCTSK
SCHEMBL20827885 0.92 CAPN1 (0.66) CAPN1CTSLNPY4RNPY1RNPY5R
SCHEMBL20827908 0.92 CAPN1 (0.66) CAPN1CTSLNPY4RNPY1RNPY5R
SCHEMBL20816652 0.91 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL20816583 0.91 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL20816842 0.91 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL20816685 0.90 KISS1R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL20828052 0.90 CTSK (0.53) CAPN1CTSLCTSBCTSK

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-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases Phelix Therapeutics (US) 2019-03-21 — — 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-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases CTSS, CTSB, CTSL CAPN1 8/4885CTSL 3/4885NPY4R 1667/4885

“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.

Send feedback