SCHEMBL16970529

SCHEMBL16970529

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.51
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ MME P08473 4/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ GNPAT O15228 1/20 0.44
▸ SLC15A1 P46059 1/20 0.44
▸ ACE P12821 2/20 0.44
▸ CPA1 P15085 2/20 0.44
▸ ACE2 Q9BYF1 2/20 0.44

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
SCHEMBL16970536 0.97 CTSC (0.49) CTSCALPIPKMPTGS1XIAP
SCHEMBL16970552 0.90 MME (0.55) MMEACECPA1ACE2
Hydrochloric Acid SCHEMBL15569275 0.88 MME (0.53) MMEACECPA1ACE2
SCHEMBL16984799 0.88 CTSC (0.47) CTSCALPIPKMPTGS1XIAP
SCHEMBL16970559 0.87 MME (0.47) CTSCMMEACECPA1ACE2
SCHEMBL16984886 0.86 CTSC (0.45) CTSCMMEOPRK1SLC15A1ACE
SCHEMBL16970557 0.85 ACE (0.46) CTSCMMEGNPATACECPA1
SCHEMBL16970519 0.85 ACE (0.54) MMEGNPATACECPA1ACE2
SCHEMBL825577 0.83 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL1329567 0.83 MME (0.67) CTSCALPIPKMPTGS1XIAP

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 CTSC 194/4885ALPI 2004/4885PKM 688/4885

“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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