SCHEMBL2926115

SCHEMBL2926115

CC(C)CCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
PANK3 Q9H999 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ACKR3 P25106 1/20 0.48
HDAC3 O15379 1/20 0.46
PIN1 Q13526 3/20 0.46
TLR7 Q9NYK1 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
PSMB1 P20618 1/20 0.46
CMA1 P23946 1/20 0.46
PSMB8 P28062 1/20 0.46

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
SCHEMBL2926111 0.82 HPGDS (0.53) HPGDSHDAC1HDAC8HDAC6CYP3A4
SCHEMBL2935518 0.82 PSMB5 (0.69) HPGDSHDAC1HDAC8HDAC6CYP3A4
SCHEMBL2931763 0.81 CTSA (0.48) CYP3A4ELANECTSGPSMB1CMA1
SCHEMBL608033 0.81 PSMB5 (0.68) CYP3A4ELANECTSGPSMB1CMA1
SCHEMBL2930834 0.80 SMN1; SMN2 (0.48) HPGDSPANK3HDAC1HDAC8HDAC6
SCHEMBL2932158 0.79 PSMB5 (0.52) CYP3A4ELANECTSGPSMB1CMA1
SCHEMBL2934926 0.79 EPHX2 (0.51) CYP3A4TDP1ELANECTSGPSMB1
SCHEMBL2934901 0.79 NPC1 (0.51) CYP3A4ELANECTSGPSMB1CMA1
SCHEMBL2933382 0.78 CYP3A4 (0.48) CYP3A4ELANECTSGPSMB1CMA1
SCHEMBL610096 0.78 NPC1 (0.69) HPGDSHDAC1TDP1LAP3NPSR1

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 HPGDS 1775/4885PANK3 2887/4885HDAC1 235/4885

“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.