SCHEMBL608190

SCHEMBL608190

CC(C)CCNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 4/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSL P07711 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSPA2 P54652 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
CTSK P43235 1/20 0.37

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
SCHEMBL608189 0.88 HSPA5 (0.41) HSPA5CTSBCTSSCTSLRAB9A
SCHEMBL12754510 0.86 PSMB5 (0.42) HSPA5HSPA2
SCHEMBL607991 0.86 TAS1R3 (0.40) CTSBCTSSRAB9ASMN1; SMN2ALDH1A1
SCHEMBL606442 0.85 NPC1 (0.45) CTSBCTSSCTSLRAB9ASMN1; SMN2
SCHEMBL608910 0.84 BMP1 (0.37) POLB
SCHEMBL623620 0.83 CPB1 (0.33) CTSBCTSSCTSLRAB9ASMN1; SMN2
SCHEMBL608023 0.83 NMT2 (0.38) KDM4EALDH1A1POLB
SCHEMBL607764 0.83 NMT2 (0.40) POLB
SCHEMBL608083 0.83 BMP1 (0.38) CTSBCTSSKDM4EALDH1A1POLB
SCHEMBL605292 0.82 SMN1; SMN2 (0.42) CTSSCTSLRAB9ASMN1; SMN2HPGD

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
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP claimed
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 HSPA5 145/4885CTSB 303/4885CTSS 816/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 HSPA5 145/4885CTSB 303/4885CTSS 816/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HSPA5 145/4885CTSB 303/4885CTSS 816/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 HSPA5 145/4885CTSB 303/4885CTSS 816/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 HSPA5 145/4885CTSB 303/4885CTSS 816/4885

“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.