Sugi Predict

Sugi Predict / Compounds / SCHEMBL15046080

SCHEMBL15046080

SCHEMBL15046080

COB(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 17/20 0.82
▸ LONP1 P36776 12/20 0.82
▸ PSMB8 P28062 10/20 0.82
▸ PSMB9 P28065 10/20 0.82
▸ PSMB6 P28072 10/20 0.82
▸ PSMB10 P40306 10/20 0.82
▸ PSMB11 A5LHX3 9/20 0.82
▸ PSMA7 O14818 9/20 0.82
▸ PSMB1 P20618 9/20 0.82
▸ PSMA1 P25786 9/20 0.82
▸ PSMA2 P25787 9/20 0.82
▸ PSMA3 P25788 9/20 0.82
▸ PSMA4 P25789 9/20 0.82
▸ PSMA5 P28066 9/20 0.82
▸ PSMB4 P28070 9/20 0.82
▸ PSMB3 P49720 9/20 0.82
▸ PSMB2 P49721 9/20 0.82
▸ PSMA6 P60900 9/20 0.82
▸ PSMA8 Q8TAA3 9/20 0.82
▸ PSMB7 Q99436 9/20 0.82

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
SCHEMBL7921175 1.00 PSMB5 (0.82) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL28694235 0.91 PSMB5 (0.80) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL13078871 0.91 PSMB5 (0.79) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL13078873 0.91 PSMB5 (0.79) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL13324065 0.91 PSMB5 (0.79) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL13078870 0.91 PSMB5 (0.79) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL3676 0.91 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL466239 0.91 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8035134 0.91 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8049740 0.91 PSMB5 (1.00) PSMB5LONP1PSMB8PSMB9PSMB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233470-A1 CHIRAL SPECIFIC BORON-CONTAINING COMPOUNDS AND THEIR USE IN TREATING CANCER OR AMYLOIDOSIS ARTIVILA (SHENZHEN) INNOVATION CENTER, LTD. (CN) 2019-08-01 — — US disclosed
WO-2014170628-A1 PROCESS FOR THE PREPARATION OF BORTEZOMIB MANNITOL ESTER CIPLA LIMITED (IN) 2014-10-23 — — WO disclosed
US-20130157972-A1 COMPOSITIONS INCLUDING TRICIRIBINE AND BORTEZOMIB AND DERIVATIVES THEREOF AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-20 — — 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-20130157972-A1 COMPOSITIONS INCLUDING TRICIRIBINE AND BORTEZOMIB AND DERIVATIVES THEREOF AND METHODS OF USE THEREOF MCL1, BCL3, BECN1 PSMB5 47/4885LONP1 919/4885PSMB8 62/4885
US-20190233470-A1 CHIRAL SPECIFIC BORON-CONTAINING COMPOUNDS AND THEIR USE IN TREATING CANCER OR AMYLOIDOSIS TBCA, BCL3, BCL6 PSMB5 1303/4885LONP1 3319/4885PSMB8 1492/4885

“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.