SCHEMBL607915

SCHEMBL607915

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
NPY4R P50391 5/20 0.36
NPY5R Q15761 4/20 0.36
NPY1R P25929 3/20 0.36
NPY2R P49146 1/20 0.36
CXCR3 P49682 1/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
GSR P00390 2/20 0.34
HTT P42858 1/20 0.33
EPHX2 P34913 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
PARP14 Q460N5 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
CPB1 P15086 1/20 0.32

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
SCHEMBL607914 0.88 NPY4R (0.34) NPY4RNPY5RNPY1RNPY2RCXCR3
SCHEMBL3162098 0.87 CLPP (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL605948 0.85 NMT2 (0.41) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL607820 0.84 NMT2 (0.44) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL27656632 0.83 GSR (0.35) CXCR3GSREPHX2ITGB3ITGA2B
SCHEMBL607443 0.83 L3MBTL1 (0.40) NMT2NMT1ITGA4ITGB7POLB
SCHEMBL607111 0.82 NMT2 (0.47) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL607298 0.81 NMT2 (0.45) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL607118 0.81 NMT2 (0.38) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL607899 0.80 LMNA (0.47) NMT2NMT1ITGA4ITGB7CYP2C19

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 14 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 NMT2 2957/4885NMT1 3142/4885NPY4R 4558/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885NPY4R 4558/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885NPY4R 4558/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885NPY4R 4558/4885

“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.