SCHEMBL606432

SCHEMBL606432

COc1ccc(F)cc1C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.42
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 2/20 0.36
MME P08473 1/20 0.35
ECE1 P42892 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CACNA1B Q00975 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSL P07711 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RAB9A P51151 1/20 0.34
PDE10A Q9Y233 2/20 0.33

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
SCHEMBL606431 0.89 PSMB5 (0.41) PSMB5NPC1CYP3A4KMT2AALDH1A1
SCHEMBL3171029 0.87 PSMB5 (0.60) PSMB5
SCHEMBL608012 0.87 TAS1R3 (0.45) NPC1CYP3A4KMT2ACTSLPKM
SCHEMBL606931 0.84 HTT (0.39) PSMB5NPC1CYP3A4KMT2AMME
SCHEMBL27676598 0.83 ALDH1A1 (0.37) PSMB5NPC1CYP3A4KMT2AALDH1A1
SCHEMBL606071 0.81 PSMB5 (0.40) PSMB5CACNA1B
SCHEMBL605292 0.80 SMN1; SMN2 (0.42) NPC1ALDH1A1MAPTCTSLGAA
SCHEMBL606442 0.79 NPC1 (0.45) NPC1CTSLRAB9A
SCHEMBL609011 0.78 GAA (0.45) KMT2AALDH1A1MAPTCTSLGAA
SCHEMBL609809 0.78 NMT2 (0.41) CACNA1BPKM

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 17 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
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 PSMB5 2/4885NPC1 2178/4885CYP3A4 3988/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 PSMB5 2/4885NPC1 2178/4885CYP3A4 3988/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 PSMB5 2/4885NPC1 2178/4885CYP3A4 3988/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 PSMB5 2/4885NPC1 2178/4885CYP3A4 3988/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 PSMB5 2/4885NPC1 2178/4885CYP3A4 3988/4885

“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.