SCHEMBL607178

SCHEMBL607178

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CAPN9 O14815 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSB P07858 1/20 0.32
MAPK1 P28482 1/20 0.32
ANPEP P15144 1/20 0.30
DNPEP Q9ULA0 1/20 0.30
CPB1 P15086 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL605665 0.93 NMT2 (0.35) NMT2NMT1CAPN9CAPN1CTSB
SCHEMBL607089 0.90 NMT2 (0.33) NMT2NMT1CAPN9CAPN1CTSB
SCHEMBL12754445 0.85 LONP1 (0.35)
SCHEMBL607970 0.84 CNR1 (0.36) CNR2CNR1NMT2NMT1CAPN9
SCHEMBL610003 0.83 CAPN9 (0.36) NMT2NMT1CAPN9CAPN1CTSB
SCHEMBL606975 0.83 SIRT6 (0.43) NMT2NMT1CAPN9CAPN1CTSB
SCHEMBL607833 0.83 CNR1 (0.39) CNR2CNR1NMT2NMT1
SCHEMBL608078 0.83 CNR1 (0.39) CNR2CNR1NMT2NMT1
SCHEMBL608977 0.81 MAPT (0.39) MAPK1
SCHEMBL608080 0.81 NMT2 (0.41) NMT2NMT1CAPN9CAPN1CTSB

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 11 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-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 CNR2 4830/4885CNR1 4722/4885NMT2 2957/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CNR2 4830/4885CNR1 4722/4885NMT2 2957/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CNR2 4830/4885CNR1 4722/4885NMT2 2957/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CNR2 4830/4885CNR1 4722/4885NMT2 2957/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CNR2 4830/4885CNR1 4722/4885NMT2 2957/4885

“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.