SCHEMBL16984903

SCHEMBL16984903

N[C@@H](COC(F)F)C(=O)N[C@@H](COC(F)F)C(=O)N[C@@H](COC(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.42
▸ MME P08473 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ CTSK P43235 6/20 0.40
▸ IL1RN P18510 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ CTSS P25774 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CAPN1 P07384 1/20 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
SCHEMBL16984900 0.98 MME (0.42) CTSLMMEANPEPCTSKIL1RN
SCHEMBL16984895 0.94 MME (0.48) CTSLMMEANPEPCTSKCTSS
SCHEMBL16984886 0.93 CTSC (0.45) CTSLMMEANPEPPOLBCAPN1
SCHEMBL15594348 0.92 CTSK (0.52) CTSLCTSKIL1RNERAP2ERAP1
SCHEMBL16984896 0.91 CTSK (0.48) CTSLCTSKIL1RNERAP2ERAP1
SCHEMBL16984894 0.91 LNPEP (0.44) CTSLMMEANPEPERAP2ERAP1
SCHEMBL16984799 0.91 CTSC (0.47) CTSLMMEANPEPCTSKCTSS
SCHEMBL16925150 0.91 MME (0.50) CTSLMMEANPEPCTSKCTSS
SCHEMBL16984897 0.90 CTSK (0.49) CTSLCTSKIL1RNERAP2ERAP1
SCHEMBL16984915 0.88 CTSL (0.43) CTSLMMEANPEPERAP2ERAP1

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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 — — 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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMA1, PSMB1, PSMB11 CTSL 1335/4885MME 192/4885ANPEP 119/4885

“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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