SCHEMBL608036

SCHEMBL608036

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
NPY4R P50391 5/20 0.35
NPY5R Q15761 4/20 0.35
NPY1R P25929 3/20 0.35
NPY2R P49146 1/20 0.35
CAPN1 P07384 1/20 0.32
CPB2 Q96IY4 1/20 0.32
LPAR3 Q9UBY5 3/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
GLP1R P43220 3/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
LPAR1 Q92633 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
SCHEMBL607835 0.98 NMT2 (0.47) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL608639 0.97 NMT2 (0.49) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL607111 0.93 NMT2 (0.47) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL607298 0.92 NMT2 (0.45) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL608999 0.90 NMT2 (0.48) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL606043 0.90 NMT2 (0.44) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL606727 0.90 NMT2 (0.47) NMT2NMT1LPAR3SIRT6SIRT1
SCHEMBL606022 0.89 NMT2 (0.49) NMT2NMT1LPAR3SIRT6SIRT1
SCHEMBL607617 0.89 NMT2 (0.49) NMT2NMT1LPAR3SIRT6SIRT1
SCHEMBL608585 0.89 NMT2 (0.49) NMT2NMT1LPAR3SIRT6SIRT1

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 15 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
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP disclosed
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 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-20050107307-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.