SCHEMBL16970559

SCHEMBL16970559

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.47
▸ ACE P12821 2/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ LNPEP Q9UIQ6 6/20 0.45
▸ ERAP2 Q6P179 2/20 0.45
▸ CTSC P53634 2/20 0.44
▸ CTSB P07858 1/20 0.43
▸ CTSH P09668 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ FOLH1 Q04609 1/20 0.40

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
SCHEMBL16970557 0.98 ACE (0.46) MMEACECPA1ACE2LNPEP
SCHEMBL16970519 0.92 ACE (0.54) MMEACECPA1ACE2LNPEP
SCHEMBL16970534 0.91 LTA4H (0.47) MMECPA1LNPEPERAP2CTSB
SCHEMBL16970535 0.90 ACE (0.47) MMEACECPA1ACE2LNPEP
SCHEMBL16984914 0.88 LNPEP (0.46) MMELNPEPERAP2CTSCERAP1
SCHEMBL16970529 0.87 CTSC (0.51) MMEACECPA1ACE2CTSC
SCHEMBL16984894 0.86 LNPEP (0.44) MMELNPEPERAP2CTSCCTSB
SCHEMBL22472895 0.86 LNPEP (0.53) MMEACECPA1ACE2LNPEP
SCHEMBL16970536 0.85 CTSC (0.49) MMEACECPA1ACE2CTSC
SCHEMBL16984885 0.84 MME (0.47) MMELNPEPERAP2CTSBERAP1

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 MME 192/4885ACE 1134/4885CPA1 732/4885

“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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