Sugi Predict

Sugi Predict / Compounds / SCHEMBL606691

SCHEMBL606691

SCHEMBL606691

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)c1ccccn1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 18/20 0.59
▸ PSMB1 P20618 10/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ PSEN1 P49768 1/20 0.55
▸ PSEN2 P49810 1/20 0.55
▸ APH1B Q8WW43 1/20 0.55
▸ NCSTN Q92542 1/20 0.55
▸ APH1A Q96BI3 1/20 0.55
▸ PSENEN Q9NZ42 1/20 0.55
▸ PSMB2 P49721 9/20 0.55

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
SCHEMBL15291063 0.92 PSMB5 (0.63) PSMB5PSMB1HDAC3HDAC4HDAC1
SCHEMBL1478930 0.92 PSMB5 (0.67) PSMB5PSMB1HDAC3HDAC4HDAC1
SCHEMBL606898 0.91 PSEN1 (0.68) PSMB5PSMB1HDAC3HDAC4HDAC1
SCHEMBL607562 0.90 PSMB5 (0.53) PSMB5PSMB1HDAC3HDAC4HDAC1
SCHEMBL606026 0.90 PSEN1 (0.58) PSMB5PSMB1HDAC3HDAC4HDAC1
SCHEMBL608735 0.89 PSMB5 (0.58) PSMB5PSMB1PSEN1PSEN2APH1B
SCHEMBL608014 0.89 PSEN1 (0.58) PSMB5PSMB1HDAC3HDAC4HDAC1
SCHEMBL606509 0.88 PSMB5 (0.60) PSMB5PSMB1PSEN1PSEN2APH1B
SCHEMBL606288 0.88 PSMB5 (0.57) PSMB5PSMB1PSEN1PSEN2APH1B
SCHEMBL608385 0.88 PSEN1 (0.59) PSMB5PSMB1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 — — US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 — — US disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 — — US 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

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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 PSMB5 2/4885PSMB1 4/4885HDAC3 883/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 PSMB5 2/4885PSMB1 4/4885HDAC3 883/4885

“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.