SCHEMBL608690

SCHEMBL608690

CC(C)CCNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
CCKBR P32239 1/20 0.40
CTSK P43235 4/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TGM2 P21980 1/20 0.39
PADI6 Q6TGC4 1/20 0.39
PADI4 Q9UM07 1/20 0.39
PADI2 Q9Y2J8 1/20 0.39
ELANE P08246 1/20 0.39
NPY5R Q15761 1/20 0.39
OPRM1 P35372 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL606442 0.89 NPC1 (0.45) CTSKCTSLCTSS
SCHEMBL606613 0.89 CCKBR (0.40) MCHR1CCKBRCTSKPDE4APDE4B
SCHEMBL607653 0.87 CTSL (0.43) CTSKCTSLCTSS
SCHEMBL12754490 0.87 CLPP (0.50) CTSKELANE
SCHEMBL607709 0.85 ALDH1A1 (0.41)
SCHEMBL608017 0.85 ALDH1A1 (0.39) CTSKCTSLCTSS
SCHEMBL608795 0.85 SMN1; SMN2 (0.38) CTSKCTSLCTSS
SCHEMBL607418 0.84 HDAC1 (0.47) MCHR1CTSKCTSLCTSSOPRM1
SCHEMBL606548 0.84 KMT2A (0.45) CTSKCTSLCTSS
SCHEMBL608310 0.84 HDAC3 (0.41)

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 16 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
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 MCHR1 4296/4885CCKBR 3620/4885CTSK 1119/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 MCHR1 4296/4885CCKBR 3620/4885CTSK 1119/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MCHR1 4296/4885CCKBR 3620/4885CTSK 1119/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 MCHR1 4296/4885CCKBR 3620/4885CTSK 1119/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 MCHR1 4296/4885CCKBR 3620/4885CTSK 1119/4885

“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.