SCHEMBL606551

SCHEMBL606551

CC(C)CCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccnc2)c1)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 3/20 0.48
CTSV O60911 1/20 0.48
KMO O15229 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CTSK P43235 1/20 0.44
GPR132 Q9UNW8 3/20 0.43
SUCNR1 Q9BXA5 2/20 0.43
DYRK1A Q13627 1/20 0.41
NTSR1 P30989 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL607084 0.90 NPC1 (0.53) CTSLCTSSCTSBCTSVNPC1
SCHEMBL2933261 0.88 EPHX2 (0.51) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL619141 0.87 NPC1 (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL606550 0.84 CTSL (0.46) CTSLCTSSCTSBCTSVKMO
SCHEMBL2930312 0.83 NPC1 (0.50) CTSLCTSKNPC1RAB9ASMN1; SMN2
SCHEMBL3174593 0.82 PSMB5 (0.57) CTSLCTSSCTSBCTSVKMO
Hydrochloric Acid SCHEMBL1326503 0.81 PSMB5 (0.56) CTSLCTSSCTSBCTSVCTSK
Hydrochloric Acid SCHEMBL1326505 0.79 CTSL (0.42) CTSLCTSSCTSBCTSVKMO
SCHEMBL3854680 0.77 ADRB2 (0.43) CTSLCTSSCTSBCTSVKMO
SCHEMBL2932710 0.77 ATM (0.43) CTSLCTSSCTSBCTSKNPC1

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 13 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
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP 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
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 (4 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 CTSL 1694/4885CTSS 816/4885CTSB 303/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CTSL 1694/4885CTSS 816/4885CTSB 303/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CTSL 1694/4885CTSS 816/4885CTSB 303/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CTSL 1694/4885CTSS 816/4885CTSB 303/4885

“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.