SCHEMBL16984915

SCHEMBL16984915

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.43
▸ MME P08473 2/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ LNPEP Q9UIQ6 4/20 0.41
▸ ERAP1 Q9NZ08 3/20 0.41
▸ ERAP2 Q6P179 3/20 0.41
▸ CTSC P53634 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ CTSB P07858 2/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 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 0.91 LNPEP (0.46) CTSLMMEANPEPLNPEPERAP1
SCHEMBL16984900 0.91 MME (0.42) CTSLMMEANPEPERAP1ERAP2
SCHEMBL16984894 0.89 LNPEP (0.44) CTSLMMEANPEPLNPEPERAP1
SCHEMBL16925150 0.88 MME (0.50) CTSLMMEANPEPCTSBACE
SCHEMBL16984903 0.88 CTSL (0.42) CTSLMMEANPEPERAP1ERAP2
SCHEMBL16970535 0.88 ACE (0.47) MMELNPEPERAP1ERAP2CTSC
SCHEMBL16984885 0.86 MME (0.47) CTSLMMEANPEPLNPEPERAP1
SCHEMBL16984895 0.85 MME (0.48) CTSLMMEANPEPCTSBACE
SCHEMBL16984876 0.85 CTSK (0.51) CTSLERAP1ERAP2CTSB
SCHEMBL16984878 0.84 CTSL (0.51) CTSLERAP1ERAP2CTSB

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.

Send feedback