SCHEMBL606931

SCHEMBL606931

Cc1ccc(F)c(C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
PADI4 Q9UM07 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34
MME P08473 1/20 0.33
ECE1 P42892 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
CACNA1B Q00975 2/20 0.33
CTSB P07858 1/20 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
SCHEMBL606930 0.88 SMN1; SMN2 (0.34) HTTTSHRL3MBTL1PSMB8PSMB5
SCHEMBL3165923 0.87 CLPP (0.49) PSMB8PSMB5CLPP
SCHEMBL606071 0.85 PSMB5 (0.40) PSMB5SMN1; SMN2PADI4NMT2NMT1
SCHEMBL606432 0.84 PSMB5 (0.42) PSMB5CTSLMMEECE1NPC1
SCHEMBL605292 0.84 SMN1; SMN2 (0.42) HTTSMN1; SMN2CTSLCTSSCTSK
SCHEMBL27656586 0.82 PSMB8 (0.35) HTTTSHRL3MBTL1PSMB8PSMB5
SCHEMBL605462 0.81 POLB (0.39) HTTNMT2NMT1CPB1CPB2
SCHEMBL606442 0.81 NPC1 (0.45) SMN1; SMN2CTSLCTSSCTSKCPB1
SCHEMBL608012 0.80 TAS1R3 (0.45) HTTCTSLCTSSCTSKNPC1
SCHEMBL607991 0.80 TAS1R3 (0.40) L3MBTL1SMN1; SMN2CTSSNMT2NMT1

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 HTT 1389/4885TSHR 4250/4885L3MBTL1 479/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 HTT 1389/4885TSHR 4250/4885L3MBTL1 479/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HTT 1389/4885TSHR 4250/4885L3MBTL1 479/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 HTT 1389/4885TSHR 4250/4885L3MBTL1 479/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 HTT 1389/4885TSHR 4250/4885L3MBTL1 479/4885

“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.