SCHEMBL607617

SCHEMBL607617

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.49
NMT1 P30419 1/20 0.49
LPAR3 Q9UBY5 4/20 0.44
LPAR1 Q92633 2/20 0.43
GLP1R P43220 8/20 0.42
TLR2 O60603 1/20 0.42
NOD1 Q9Y239 3/20 0.41
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PLA2G10 O15496 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL605360 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL608041 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL608327 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL606022 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL608585 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL607108 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL607130 1.00 NMT2 (0.49) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL606727 0.99 NMT2 (0.47) NMT2NMT1LPAR3LPAR1GLP1R
SCHEMBL20542971 0.94 LPAR3 (0.50) LPAR3LPAR1GLP1RTLR2NOD1
SCHEMBL20543000 0.94 LPAR3 (0.50) LPAR3LPAR1GLP1RTLR2NOD1

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
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
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 3142/4885LPAR3 3911/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885LPAR3 3911/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885LPAR3 3911/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885LPAR3 3911/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 NMT2 2957/4885NMT1 3142/4885LPAR3 3911/4885

“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.