SCHEMBL608939

SCHEMBL608939

CSCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
CPB2 Q96IY4 2/20 0.31
CAPN9 O14815 1/20 0.31
CAPN1 P07384 1/20 0.31
CTSB P07858 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
CPB1 P15086 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
PGGT1B P53609 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
NPY4R P50391 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
SCHEMBL606531 0.90 NMT2 (0.38) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL607811 0.90 NMT2 (0.42) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL608080 0.88 NMT2 (0.41) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL607111 0.87 NMT2 (0.47) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL608938 0.86
SCHEMBL606975 0.85 SIRT6 (0.43) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL608880 0.85 NMT2 (0.39) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL606568 0.85 NMT2 (0.39) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL607659 0.85 NMT2 (0.39) NMT2NMT1ITGA4ITGB7ANPEP
SCHEMBL12754548 0.85 CLPP (0.38)

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
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-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 3142/4885ITGA4 4528/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885ITGA4 4528/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885ITGA4 4528/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885ITGA4 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.