SCHEMBL2933261

SCHEMBL2933261

CC(C)CCNC(=O)[C@@H](NC(=O)c1cccnc1)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.51
ADAM17 P78536 1/20 0.47
THRB P10828 1/20 0.47
RAB9A P51151 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
SORT1 Q99523 1/20 0.45
PREP P48147 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL606551 0.88 CTSL (0.48) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL607084 0.88 NPC1 (0.53) LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4184029 0.83 EPHX2 (0.70) EPHX2CYP2C9CYP2C19LMNATHRB
SCHEMBL2930312 0.81 NPC1 (0.50) RAB9ASMN1; SMN2NPC1
SCHEMBL2933259 0.80 LMNA (0.50) CYP2C19LMNAADAM17THRBRAB9A
SCHEMBL605465 0.80 LONP1 (0.56) LMNASMN1; SMN2HTTHDAC1HDAC6
SCHEMBL30037817 0.79 LMNA (0.56) LMNATHRBRAB9AKMT2AMEN1
SCHEMBL2928226 0.79 PSMB5 (0.58) LMNAADAM17CYP3A4HDAC1HDAC6
SCHEMBL610096 0.78 NPC1 (0.69) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL619141 0.78 NPC1 (0.54) RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US claimed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 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 (2 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-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 EPHX2 3317/4885CYP2C9 4640/4885CYP2C19 4507/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 EPHX2 3317/4885CYP2C9 4640/4885CYP2C19 4507/4885

“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.