SCHEMBL20828002

SCHEMBL20828002

CCC(C)C(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC(CCCNC(N)=O)C(=O)NC(Cc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.49
▸ CTSB P07858 5/20 0.49
▸ CTSK P43235 4/20 0.49
▸ KISS1R Q969F8 7/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ CAPN2 P17655 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ NPY5R Q15761 1/20 0.45

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
SCHEMBL20828083 1.00 CAPN1 (0.49) CAPN1CTSBCTSKKISS1RCTSL
SCHEMBL20827981 0.95 NPY4R (0.52) CAPN1CTSBCTSKNPY1RNPY2R
SCHEMBL20828093 0.95 NPY4R (0.52) CAPN1CTSBCTSKNPY1RNPY2R
SCHEMBL20828106 0.95 NPY4R (0.52) CAPN1CTSBCTSKNPY1RNPY2R
SCHEMBL20827929 0.95 NPY4R (0.52) CAPN1CTSBCTSKNPY1RNPY2R
SCHEMBL20827990 0.92 CAPN1 (0.56) CAPN1CTSBCTSKCTSLCTSS
SCHEMBL20827853 0.92 CAPN1 (0.56) CAPN1CTSBCTSKCTSLCTSS
SCHEMBL20816886 0.91 KISS1R (0.48) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL20816889 0.91 KISS1R (0.48) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL20816887 0.91 KISS1R (0.48) KISS1RNPY1RNPY2RNPY4RNPY5R

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 8/4885CTSB 2/4885CTSK 9/4885

“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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