SCHEMBL605462

SCHEMBL605462

Cc1ccc(C)c(CC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
CYP2C19 P33261 1/20 0.39
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
NPY5R Q15761 4/20 0.32
NPY1R P25929 3/20 0.32
NPY4R P50391 3/20 0.32
NPY2R P49146 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TGM2 P21980 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL605461 0.88 POLB (0.31) POLBCYP2C19NPY5RNPY1RNPY4R
SCHEMBL3155326 0.87 PSMB5 (0.39)
SCHEMBL609331 0.84 CYP2C19 (0.45) POLBCYP2C19ITGA4ITGB7NMT2
SCHEMBL608002 0.83 ITGA4 (0.44) POLBCYP2C19ITGA4ITGB7CPB1
SCHEMBL605395 0.82 MEN1 (0.43) POLBALDH1A1HTT
SCHEMBL607670 0.82 LMNA (0.43) POLBNMT2NMT1NPY5RNPY1R
SCHEMBL605296 0.82 KMT2A (0.43) POLBCYP2C19ITGA4ITGB7NMT2
SCHEMBL606931 0.81 HTT (0.39) ITGA4ITGB7NMT2NMT1CPB1
SCHEMBL609011 0.81 GAA (0.45) POLBITGB3ITGA2BALDH1A1HTT
SCHEMBL608080 0.81 NMT2 (0.41) ITGA4ITGB7NMT2NMT1ITGB3

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 16 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
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US 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 (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 POLB 829/4885CYP2C19 4493/4885ITGA4 4528/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 POLB 829/4885CYP2C19 4493/4885ITGA4 4528/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 POLB 829/4885CYP2C19 4493/4885ITGA4 4528/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 POLB 829/4885CYP2C19 4493/4885ITGA4 4528/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 POLB 829/4885CYP2C19 4493/4885ITGA4 4528/4885

“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.