SCHEMBL608083

SCHEMBL608083

CC(C)CCNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)CS(=O)(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.38
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
ATM Q13315 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32
NPY5R Q15761 1/20 0.32
CTSK P43235 1/20 0.31
CTSF Q9UBX1 1/20 0.31

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
SCHEMBL608082 0.89 BMP1 (0.37) BMP1ALDH1A1CTSBCTSSNPY1R
SCHEMBL3160564 0.87 PSMB5 (0.38) BMP1
SCHEMBL608910 0.83 BMP1 (0.37) BMP1ITGA4ITGB7POLBNMT2
SCHEMBL608190 0.83 HSPA5 (0.43) KDM4EALDH1A1POLBCTSBCTSS
SCHEMBL608023 0.82 NMT2 (0.38) BMP1KDM4EALDH1A1POLBNMT2
SCHEMBL27656592 0.82 BMP1 (0.33) BMP1ALDH1A1
SCHEMBL607764 0.82 NMT2 (0.40) BMP1POLBNMT2NMT1NPY1R
SCHEMBL607443 0.80 L3MBTL1 (0.40) ITGA4ITGB7ALDH1A1CYP2C19POLB
SCHEMBL608002 0.79 ITGA4 (0.44) ITGA4ITGB7CYP2C19POLBCPB1
SCHEMBL608080 0.78 NMT2 (0.41) ITGA4ITGB7CTSBNMT2NMT1

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 BMP1 2904/4885ITGA4 4528/4885ITGB7 4324/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 BMP1 2904/4885ITGA4 4528/4885ITGB7 4324/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 BMP1 2904/4885ITGA4 4528/4885ITGB7 4324/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 BMP1 2904/4885ITGA4 4528/4885ITGB7 4324/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 BMP1 2904/4885ITGA4 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.