SCHEMBL606808

SCHEMBL606808

CC(C)C[CH]NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2F)cc1)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
DGAT1 O75907 1/20 0.37
GRIA4 P48058 2/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36

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
SCHEMBL610095 0.87 NPC1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL1109120 0.83 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL606809 0.82 NPC1 (0.51) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL10243766 0.80 PSMB5 (0.55) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL608143 0.79 MMP2 (0.48) ALDH1A1NPSR1HDAC3
SCHEMBL607813 0.79 ADAM17 (0.47) CTSKHDAC3HDAC1HDAC2
SCHEMBL607083 0.78 MKNK1 (0.50) NPC1RAB9ACTSBCTSLCTSS
SCHEMBL619140 0.78 HDAC8 (0.45) CYP3A4NPC1RAB9AHDAC8
SCHEMBL609408 0.76 ASAH2 (0.51) NPC1RAB9A
SCHEMBL2930310 0.74 CTSA (0.48) CYP3A4CTSLCTSK

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
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
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 ALDH1A1 3935/4885MAPT 2121/4885L3MBTL1 479/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885MAPT 2121/4885L3MBTL1 479/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885MAPT 2121/4885L3MBTL1 479/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885MAPT 2121/4885L3MBTL1 479/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885MAPT 2121/4885L3MBTL1 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.