SCHEMBL606726

SCHEMBL606726

CCCCCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N[CH]CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.37
LPAR3 Q9UBY5 4/20 0.36
LPAR1 Q92633 2/20 0.35
EPHX2 P34913 3/20 0.35
GLP1R P43220 5/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY4R P50391 1/20 0.35
NPY5R Q15761 1/20 0.35
PLA2G10 O15496 2/20 0.35
TLR2 O60603 1/20 0.35
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34

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
SCHEMBL607616 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL605359 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL607129 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL608584 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL606021 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL607107 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL608040 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL608326 0.99 NOD1 (0.39) NOD1LPAR3LPAR1EPHX2GLP1R
SCHEMBL607834 0.92 NPY4R (0.35) NPY1RNPY2RNPY4RNPY5RNMT2
SCHEMBL607110 0.92 NMT2 (0.35) NPY1RNPY2RNPY4RNPY5RNMT2

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
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
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO 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
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US 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 NOD1 3183/4885LPAR3 3911/4885LPAR1 3715/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NOD1 3183/4885LPAR3 3911/4885LPAR1 3715/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NOD1 3183/4885LPAR3 3911/4885LPAR1 3715/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 NOD1 3183/4885LPAR3 3911/4885LPAR1 3715/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NOD1 3183/4885LPAR3 3911/4885LPAR1 3715/4885

“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.