SCHEMBL2931763

SCHEMBL2931763

CC(C)CCNC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)ccn1)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PSMB5 P28074 3/20 0.45
PSMB8 P28062 2/20 0.45
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
CYP3A4 P08684 1/20 0.45
PSMB1 P20618 1/20 0.45
CMA1 P23946 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45
LAP3 P28838 2/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 2/20 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
SCHEMBL2934926 0.85 EPHX2 (0.51) SMN1; SMN2PSMB5PSMB8ELANECTSG
SCHEMBL2927879 0.85 ELANE (0.48) NPC1RAB9ASMN1; SMN2PSMB5PSMB8
SCHEMBL2934901 0.85 NPC1 (0.51) CTSANPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL619141 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LAP3ANPEP
SCHEMBL2931761 0.82 CTSA (0.47) CTSAPSMB5PSMB8ELANECTSG
SCHEMBL2933382 0.82 CYP3A4 (0.48) NPC1RAB9ASMN1; SMN2PSMB5PSMB8
SCHEMBL610096 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LAP3ANPEP
SCHEMBL2925992 0.81 HDAC3 (0.42) NPC1RAB9ASMN1; SMN2PSMB5PSMB8
SCHEMBL2926115 0.81 HPGDS (0.54) PSMB5PSMB8ELANECTSGCYP3A4
SCHEMBL2936700 0.81 PSMB5 (0.68) CTSAPSMB5PSMB8ELANECTSG

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CTSA 209/4885NPC1 2169/4885RAB9A 3665/4885

“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.