SCHEMBL16970535

SCHEMBL16970535

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.47
▸ MME P08473 3/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ CTSC P53634 3/20 0.44
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ERAP2 Q6P179 2/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ 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
SCHEMBL16970559 0.90 MME (0.47) ACEMMECPA1ACE2CTSC
SCHEMBL16984915 0.88 CTSL (0.43) ACEMMECPA1ACE2CTSC
SCHEMBL16970557 0.88 ACE (0.46) ACEMMECPA1ACE2CTSC
SCHEMBL16970552 0.87 MME (0.55) ACEMMECPA1ACE2
Hydrochloric Acid SCHEMBL15569275 0.86 MME (0.53) ACEMMECPA1ACE2
SCHEMBL16970519 0.85 ACE (0.54) ACEMMECPA1ACE2ERAP2
SCHEMBL16970534 0.82 LTA4H (0.47) MMECPA1CTSBERAP2LNPEP
SCHEMBL16970529 0.82 CTSC (0.51) ACEMMECPA1ACE2CTSC
SCHEMBL30070551 0.81 ACE (0.56) ACEMMECPA1ACE2CTSC
SCHEMBL16984914 0.81 LNPEP (0.46) MMECTSCERAP2LNPEPERAP1

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 ACE 1134/4885MME 192/4885CPA1 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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