SCHEMBL92779

SCHEMBL92779

CCCCOP(=O)(OCCCC)OCC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.49
BIRC2 Q13490 2/20 0.47
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
TMPRSS11D O60235 1/20 0.46
CTRL P40313 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
PSMB11 A5LHX3 1/20 0.45
PSMD11 O00231 1/20 0.45
PSMD12 O00232 1/20 0.45
PSMD14 O00487 1/20 0.45
PSMA7 O14818 1/20 0.45
PSMD3 O43242 1/20 0.45
CTSB P07858 1/20 0.45
CYP3A4 P08684 1/20 0.45
PSMC3 P17980 1/20 0.45
PSMB1 P20618 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP3A7 P24462 1/20 0.45

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
SCHEMBL92776 0.93 PSMB5 (0.50) PSMB5TMPRSS11DCTRLPSMB11PSMD11
SCHEMBL84958 0.90 CAPN1 (0.50) PSMB5BIRC2IL1RNERAP2ERAP1
SCHEMBL92604 0.89 BIRC2 (0.51) PSMB5BIRC2IL1RNERAP2ERAP1
SCHEMBL92780 0.87 PSMB5 (0.65) PSMB5TMPRSS11DCTRLPSMB11PSMD11
SCHEMBL85538 0.83 TMPRSS11D (0.49) PSMB5TMPRSS11DCTRLPSMB11PSMD11
SCHEMBL92603 0.82 PSMB5 (0.51) PSMB5TMPRSS11DCTRLPSMB11PSMD11
SCHEMBL84943 0.81 CAPN1 (0.54) PSMB5BIRC2IL1RNERAP2ERAP1
SCHEMBL2605636 0.81 BIRC2 (0.55) PSMB5BIRC2IL1RNERAP2ERAP1
SCHEMBL85103 0.81 ALDH1A1 (0.58) PSMB5BIRC2TMPRSS11DCTRLPSMB11
SCHEMBL84540 0.80 BIRC2 (0.54) PSMB5BIRC2IL1RNERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8207297-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-8207126-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-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8129346-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-03-06 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-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 (8 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 24/4885BIRC2 707/4885IL1RN 193/4885
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885BIRC2 707/4885IL1RN 193/4885
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885BIRC2 707/4885IL1RN 193/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885BIRC2 707/4885IL1RN 193/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885BIRC2 707/4885IL1RN 193/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885BIRC2 707/4885IL1RN 193/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PSMB5 24/4885BIRC2 707/4885IL1RN 193/4885
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 21/4885BIRC2 805/4885IL1RN 116/4885

“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.