SCHEMBL85077

SCHEMBL85077

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 14/20 0.76
PSMB2 P49721 5/20 0.76
PSMB8 P28062 3/20 0.76
PSMB10 P40306 3/20 0.76
PSMB1 P20618 3/20 0.76
PSMB9 P28065 3/20 0.76
PSMB11 A5LHX3 1/20 0.76
PSMD11 O00231 1/20 0.76
PSMD12 O00232 1/20 0.76
PSMD14 O00487 1/20 0.76
PSMA7 O14818 1/20 0.76
PSMD3 O43242 1/20 0.76
CTSB P07858 1/20 0.76
CYP3A4 P08684 1/20 0.76
PSMC3 P17980 1/20 0.76
CYP3A5 P20815 1/20 0.76
CYP3A7 P24462 1/20 0.76
PSMA1 P25786 1/20 0.76
PSMA2 P25787 1/20 0.76
PSMA3 P25788 1/20 0.76

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
SCHEMBL8280662 1.00 PSMB5 (0.76) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL18871907 1.00 PSMB5 (0.76) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL20284322 0.93 PSMB5 (0.76) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL17750784 0.93 PSMB5 (0.76) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL20284324 0.93 PSMB5 (0.76) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL21035432 0.93 PSMB5 (0.76) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL18835529 0.92 PSMB5 (0.75) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL13742992 0.92 PSMB5 (0.75) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL18835528 0.92 PSMB5 (0.75) PSMB5PSMB2PSMB8PSMB10PSMB1
SCHEMBL2633254 0.91 PSMB5 (0.73) PSMB5PSMB2PSMB8PSMB10PSMB1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136085-A1 TARGETED THERAPEUTICS TVA (ABC), LLC 2017-05-18 US disclosed
US-8324174-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-12-04 US disclosed
US-20120277146-A1 Compounds For Enzyme Inhibition ONYX PHARMACEUTICALS INC. (US) 2012-11-01 US disclosed
US-8207124-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-8207126-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-8207127-B2 Compounds for enzyme inhibition ONYX TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-8207125-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-8207297-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8129346-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
US-7491704-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2009-02-17 US disclosed
US-7491704-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2009-02-17 US disclosed
US-20080200398-A1 Compounds For Enzyme Inhibition PROTEOLIX, INC. (US) 2008-08-21 US disclosed
US-20080200398-A1 Compounds For Enzyme Inhibition PROTEOLIX, INC. (US) 2008-08-21 US disclosed
US-20070191284-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-08-16 US disclosed
US-20070191284-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-08-16 US disclosed
US-7232818-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-06-19 US disclosed
US-7232818-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-06-19 US disclosed
WO-2005105827-A2 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-10 WO 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 (6 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-20080200398-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PSMB5 24/4885PSMB2 14/4885PSMB8 46/4885
US-20170136085-A1 TARGETED THERAPEUTICS HSP90B1, HSP90AB1, CDC37 PSMB5 1248/4885PSMB2 1729/4885PSMB8 1540/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885PSMB2 14/4885PSMB8 46/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885PSMB2 14/4885PSMB8 46/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PSMB5 24/4885PSMB2 14/4885PSMB8 46/4885
US-20070191284-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, PSMB1 PSMB5 21/4885PSMB2 11/4885PSMB8 34/4885

“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.