SCHEMBL3155158

SCHEMBL3155158

COc1ccc(CCCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)B(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 9/20 0.43
CLPP Q16740 3/20 0.42
NPY5R Q15761 4/20 0.41
NPY1R P25929 3/20 0.41
NPY4R P50391 3/20 0.41
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB1 P20618 3/20 0.40
PSMB2 P49721 3/20 0.40
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMA5 P28066 1/20 0.39
PSMB4 P28070 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
SCHEMBL12754527 0.92 CLPP (0.45) PSMB5CLPPPSMB1PSMB2PSMB11
SCHEMBL12754436 0.91 PSMB5 (0.45) PSMB5CLPPNPY5RNPY1RNPY4R
SCHEMBL3170988 0.91 PSMB5 (0.54) PSMB5PSMB1PSMB2PSMB8
SCHEMBL15291246 0.90 PSMB5 (0.46) PSMB5CLPPNPY5RNPY1RNPY4R
SCHEMBL12754532 0.89 PSMB5 (0.43) PSMB5CLPPNPY5RNPY1RNPY4R
SCHEMBL3162469 0.88 PSMB5 (0.45) PSMB5CLPPNPY5RNPY1RNPY4R
SCHEMBL12754458 0.88 PSMB5 (0.54) PSMB5NPY5RNPY1RNPY4RNPY2R
SCHEMBL12754528 0.88 PSMB5 (0.55) PSMB5NPY5RNPY1RNPY4RNPY2R
SCHEMBL12754457 0.88 PSMB5 (0.55) PSMB5NPY5RNPY1RNPY4RNPY2R
SCHEMBL3162192 0.87 PSMB5 (0.45) PSMB5CLPPNPY5RNPY1RNPY4R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 US disclosed
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same CEPHALON, INC. (US) 2014-03-27 US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 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 (2 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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 PSMB5 2/4885CLPP 180/4885NPY5R 4469/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 PSMB5 2/4885CLPP 180/4885NPY5R 4469/4885

“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.