SCHEMBL92604

SCHEMBL92604

CCCCOCC(=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 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.51
PSMB5 P28074 3/20 0.50
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
TSHR P16473 1/20 0.49
CAPN1 P07384 5/20 0.48
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL92603 0.93 PSMB5 (0.51) PSMB5
SCHEMBL92779 0.89 PSMB5 (0.49) BIRC2PSMB5IL1RNERAP2ERAP1
SCHEMBL84943 0.89 CAPN1 (0.54) BIRC2PSMB5IL1RNERAP2ERAP1
SCHEMBL2605636 0.85 BIRC2 (0.55) BIRC2PSMB5IL1RNERAP2ERAP1
SCHEMBL85103 0.85 ALDH1A1 (0.58) BIRC2PSMB5CAPN1ALDH1A1THRB
SCHEMBL84540 0.84 BIRC2 (0.54) BIRC2PSMB5IL1RNERAP2ERAP1
SCHEMBL13893311 0.84 BIRC2 (0.54) BIRC2PSMB5IL1RNERAP2ERAP1
SCHEMBL19474595 0.84 BIRC2 (0.54) BIRC2PSMB5IL1RNERAP2ERAP1
SCHEMBL85542 0.82 YAP1 (0.53) BIRC2PSMB5CAPN1ALDH1A1THRB
SCHEMBL92794 0.82 PSMB5 (0.52) PSMB5IL1RNERAP2ERAP1

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 17 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-8207124-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-8207126-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-8207125-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-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-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-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 (7 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 BIRC2 707/4885PSMB5 24/4885IL1RN 193/4885
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 BIRC2 707/4885PSMB5 24/4885IL1RN 193/4885
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 BIRC2 707/4885PSMB5 24/4885IL1RN 193/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 BIRC2 707/4885PSMB5 24/4885IL1RN 193/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 BIRC2 707/4885PSMB5 24/4885IL1RN 193/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 BIRC2 707/4885PSMB5 24/4885IL1RN 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 BIRC2 805/4885PSMB5 21/4885IL1RN 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.