SCHEMBL16143229

SCHEMBL16143229

CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)C2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.44
CTSL P07711 4/20 0.44
CTSK P43235 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.40
CMA1 P23946 2/20 0.39

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
SCHEMBL12012606 1.00 CTSB (0.44) CTSBCTSLCTSKABCG2CMA1
SCHEMBL463921 1.00 CTSB (0.44) CTSBCTSLCTSKABCG2CMA1
SCHEMBL13091688 1.00 CTSB (0.44) CTSBCTSLCTSKABCG2CMA1
SCHEMBL464081 1.00 CTSB (0.44) CTSBCTSLCTSKABCG2CMA1
SCHEMBL13644569 0.92 CMA1 (0.44) CTSBCTSLCTSKCMA1
SCHEMBL12012605 0.92 CMA1 (0.44) CTSBCTSLCTSKCMA1
SCHEMBL13091681 0.92 CMA1 (0.44) CTSBCTSLCTSKCMA1
SCHEMBL16143227 0.92 CMA1 (0.44) CTSBCTSLCTSKCMA1
SCHEMBL464045 0.92 CMA1 (0.44) CTSBCTSLCTSKCMA1
SCHEMBL463924 0.90 NR1I2 (0.48) CTSBCTSLCTSKABCG2

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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CTSB 39/4885CTSL 6/4885CTSK 86/4885

“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.