SCHEMBL609409

SCHEMBL609409

CCCCc1ccc(C(=O)N[C@H](C(=O)NCCC(C)C)[C@@H](C)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
KMT2A Q03164 1/20 0.46
ASAH2 Q9NR71 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CTSS P25774 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSD P07339 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL608932 0.84 ALDH1A1 (0.48) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL609408 0.81 ASAH2 (0.51) PLK1ASAH2NPC1RAB9ASMN1; SMN2
SCHEMBL405496 0.81 PPARG (0.52) PLK1KMT2AASAH2TRPV1
SCHEMBL401421 0.81 PLK1 (0.58) PLK1KMT2AASAH2NPC1RAB9A
SCHEMBL3173663 0.81 CTSS (0.47) PLK1ASAH2NPC1RAB9ASMN1; SMN2
SCHEMBL401478 0.81 PPARG (0.57) PLK1ASAH2
SCHEMBL610096 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNACTSS
SCHEMBL404259 0.80 PPARG (0.59) PLK1ASAH2
SCHEMBL8296139 0.80 PSMB5 (0.51) PLK1ASAH2TAS1R3TAS1R1
SCHEMBL608851 0.79 TAS1R3 (0.47) PLK1NPC1RAB9ASMN1; SMN2TAS1R3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLK1 1043/4885KMT2A 2266/4885ASAH2 2141/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 PLK1 1043/4885KMT2A 2266/4885ASAH2 2141/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 PLK1 1043/4885KMT2A 2266/4885ASAH2 2141/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 PLK1 1043/4885KMT2A 2266/4885ASAH2 2141/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 PLK1 1043/4885KMT2A 2266/4885ASAH2 2141/4885

“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.