SCHEMBL606448

SCHEMBL606448

CC(C)CCNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)CSCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL608002 0.89 ITGA4 (0.44) ITGA4ITGB7CPB1CPB2KMT2A
SCHEMBL606447 0.88 ALDH1A1 (0.39) GAAALDH1A1KMT2ALMNAHPGD
SCHEMBL607899 0.87 LMNA (0.47) ITGA4ITGB7ALDH1A1CPB1CPB2
SCHEMBL12754530 0.87 PSMB5 (0.47)
SCHEMBL606112 0.86 LMNA (0.54) ITGA4ITGB7ALDH1A1CPB1CPB2
SCHEMBL606531 0.86 NMT2 (0.38) GAAITGA4ITGB7CPB1CPB2
SCHEMBL3851118 0.86 LMNA (0.51) ITGA4ITGB7ALDH1A1CPB1CPB2
SCHEMBL608942 0.85 LMNA (0.50) ITGA4ITGB7ALDH1A1KMT2ALMNA
SCHEMBL605948 0.85 NMT2 (0.41) ITGA4ITGB7CPB1CPB2KMT2A
SCHEMBL608939 0.84 NMT2 (0.39) GAAITGA4ITGB7CPB1CPB2

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 GAA 190/4885ITGA4 4528/4885ITGB7 4324/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 GAA 190/4885ITGA4 4528/4885ITGB7 4324/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 GAA 190/4885ITGA4 4528/4885ITGB7 4324/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 GAA 190/4885ITGA4 4528/4885ITGB7 4324/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 GAA 190/4885ITGA4 4528/4885ITGB7 4324/4885

“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.