SCHEMBL85542

SCHEMBL85542

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CC1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 4/20 0.53
CAPN1 P07384 5/20 0.52
BIRC2 Q13490 1/20 0.51
TMPRSS11D O60235 1/20 0.51
CTRL P40313 1/20 0.51
PSMB5 P28074 3/20 0.50
PSMB11 A5LHX3 1/20 0.50
PSMD11 O00231 1/20 0.50
PSMD12 O00232 1/20 0.50
PSMD14 O00487 1/20 0.50
PSMA7 O14818 1/20 0.50
PSMD3 O43242 1/20 0.50
CTSB P07858 1/20 0.50
CYP3A4 P08684 1/20 0.50
PSMC3 P17980 1/20 0.50
PSMB1 P20618 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP3A7 P24462 1/20 0.50
PSMA1 P25786 1/20 0.50
PSMA2 P25787 1/20 0.50

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
SCHEMBL84541 0.91 TMPRSS11D (0.53) YAP1TMPRSS11DCTRLPSMB5PSMB11
SCHEMBL85103 0.87 ALDH1A1 (0.58) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL2605636 0.87 BIRC2 (0.55) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL19474595 0.86 BIRC2 (0.54) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL13893311 0.86 BIRC2 (0.54) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL84540 0.86 BIRC2 (0.54) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL84947 0.84 BIRC2 (0.53) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL14447096 0.84 BIRC2 (0.53) CAPN1BIRC2TMPRSS11DCTRLPSMB5
SCHEMBL84954 0.84 PSMB5 (0.71) TMPRSS11DCTRLPSMB5PSMB11PSMD11
SCHEMBL84943 0.83 CAPN1 (0.54) CAPN1BIRC2TMPRSS11DCTRLPSMB5

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 23 patents — showing the first 20. 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-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-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-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-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

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 YAP1 4283/4885CAPN1 276/4885BIRC2 707/4885
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 YAP1 4283/4885CAPN1 276/4885BIRC2 707/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 YAP1 4283/4885CAPN1 276/4885BIRC2 707/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 YAP1 4283/4885CAPN1 276/4885BIRC2 707/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 YAP1 4283/4885CAPN1 276/4885BIRC2 707/4885
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 YAP1 4226/4885CAPN1 242/4885BIRC2 805/4885

“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.