SCHEMBL16984894

SCHEMBL16984894

N[C@@H](CCc1ccccc1)C(=O)N[C@@H](COC(F)F)C(=O)N[C@@H](COC(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 4/20 0.44
▸ ERAP1 Q9NZ08 3/20 0.44
▸ ERAP2 Q6P179 3/20 0.44
▸ CTSL P07711 10/20 0.42
▸ MME P08473 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ CTSC P53634 1/20 0.40
▸ CTSB P07858 1/20 0.39
▸ MMP12 P39900 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
SCHEMBL16984914 0.98 LNPEP (0.46) LNPEPERAP1ERAP2CTSLMME
SCHEMBL16984885 0.95 MME (0.47) LNPEPERAP1ERAP2CTSLMME
SCHEMBL16984878 0.93 CTSL (0.51) ERAP1ERAP2CTSLCTSB
SCHEMBL16984903 0.91 CTSL (0.42) ERAP1ERAP2CTSLMMEANPEP
SCHEMBL16984886 0.89 CTSC (0.45) CTSLMMEANPEPCTSC
SCHEMBL16984915 0.89 CTSL (0.43) LNPEPERAP1ERAP2CTSLMME
SCHEMBL16970557 0.89 ACE (0.46) LNPEPERAP1ERAP2MMECTSC
SCHEMBL16984900 0.89 MME (0.42) ERAP1ERAP2CTSLMMEANPEP
SCHEMBL16984799 0.86 CTSC (0.47) CTSLMMEANPEPCTSCCTSB
SCHEMBL16970559 0.86 MME (0.47) LNPEPERAP1ERAP2MMECTSC

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 LNPEP 657/4885ERAP1 26/4885ERAP2 61/4885

“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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