SCHEMBL608029

SCHEMBL608029

Cc1nc(C)c(C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCCC(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
POLB P06746 1/20 0.35
KLKB1 P03952 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NMT2 O60551 1/20 0.31
NMT1 P30419 1/20 0.31
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL608028 0.88 CTSV (0.33) CTSVCTSLCTSBCTSSCTSK
SCHEMBL3174660 0.86 LONP1 (0.40)
SCHEMBL607991 0.81 TAS1R3 (0.40) CTSBCTSSPOLBMAPTNMT2
SCHEMBL27656609 0.81 GAA (0.35) CTSVCTSLCTSBCTSSCTSK
SCHEMBL606975 0.79 SIRT6 (0.43) CTSBNMT2NMT1
SCHEMBL15291281 0.78 LONP1 (0.40)
SCHEMBL10243578 0.78 LONP1 (0.40)
SCHEMBL606442 0.78 NPC1 (0.45) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL605292 0.78 SMN1; SMN2 (0.42) CTSVCTSLCTSSCTSKPOLB
SCHEMBL608080 0.77 NMT2 (0.41) CTSBNMT2NMT1

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 18 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
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 CTSV 1181/4885CTSL 1694/4885CTSB 303/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CTSV 1181/4885CTSL 1694/4885CTSB 303/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CTSV 1181/4885CTSL 1694/4885CTSB 303/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CTSV 1181/4885CTSL 1694/4885CTSB 303/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CTSV 1181/4885CTSL 1694/4885CTSB 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.