SCHEMBL607914

SCHEMBL607914

CC(C)C[CH]NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)CCC(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.34
NPY5R Q15761 4/20 0.34
NPY1R P25929 4/20 0.34
NPY2R P49146 1/20 0.34
CXCR3 P49682 1/20 0.32
GSR P00390 2/20 0.32
THRB P10828 3/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
THRA P10827 1/20 0.31
PARP14 Q460N5 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
CTSK P43235 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NTSR1 P30989 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL607915 0.88 NMT2 (0.37) NPY4RNPY5RNPY1RNPY2RCXCR3
SCHEMBL605947 0.86 NPY4R (0.37) NPY4RNPY5RNPY1RNPY2RHDAC1
SCHEMBL607819 0.85 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2RHDAC1
SCHEMBL607442 0.85 L3MBTL1 (0.39) NPY4RNPY5RNPY1RNPY2RMAPT
SCHEMBL3162098 0.84 CLPP (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL607297 0.83 NPY4R (0.33) NPY4RNPY5RNPY1RNPY2R
SCHEMBL607110 0.83 NMT2 (0.35) NPY4RNPY5RNPY1RNPY2R
SCHEMBL607117 0.83 NPY4R (0.35) NPY4RNPY5RNPY1RNPY2R
SCHEMBL27656632 0.82 GSR (0.35) CXCR3GSRITGB3ITGA2BHDAC3
SCHEMBL607898 0.82 ALDH1A1 (0.41) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US claimed
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-8546608-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2013-10-01 US disclosed
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2012-02-16 US disclosed
US-8058262-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-11-15 US disclosed
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US disclosed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP 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
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (5 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 NPY4R 4558/4885NPY5R 4469/4885NPY1R 4623/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NPY4R 4558/4885NPY5R 4469/4885NPY1R 4623/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NPY4R 4558/4885NPY5R 4469/4885NPY1R 4623/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 NPY4R 4558/4885NPY5R 4469/4885NPY1R 4623/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NPY4R 4558/4885NPY5R 4469/4885NPY1R 4623/4885

“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.