SCHEMBL92794

SCHEMBL92794

CCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CCCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 12/20 0.52
KISS1R Q969F8 1/20 0.48
TMPRSS11D O60235 1/20 0.46
CTRL P40313 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP3A5 P20815 2/20 0.45
CYP3A7 P24462 2/20 0.45
CYP3A43 Q9HB55 2/20 0.45
PSMB9 P28065 2/20 0.45
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
PSMC3 P17980 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMA1 P25786 1/20 0.45
PSMA2 P25787 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
SCHEMBL92790 0.91 PSMB5 (0.52) PSMB5KISS1RTMPRSS11DCTRLCYP3A4
SCHEMBL84970 0.90 CAPN1 (0.50) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL10080727 0.87 PSMB5 (0.52) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL92792 0.85 ALDH1A1 (0.50) PSMB5IL1RNERAP2ERAP1
SCHEMBL17948531 0.83 ERAP2 (0.50) PSMB5IL1RNERAP2ERAP1
SCHEMBL2605618 0.83 REN (0.56) CTSBCTSD
SCHEMBL9642170 0.83 PSMB5 (0.56) PSMB5CTSGCMA1
SCHEMBL92604 0.82 BIRC2 (0.51) PSMB5IL1RNERAP2ERAP1
SCHEMBL17948530 0.82 PSMB5 (0.72) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL85179 0.81 CAPN1 (0.50) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5

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 16 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-8207124-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-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 PSMB5 24/4885KISS1R 3634/4885TMPRSS11D 282/4885
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885KISS1R 3634/4885TMPRSS11D 282/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885KISS1R 3634/4885TMPRSS11D 282/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885KISS1R 3634/4885TMPRSS11D 282/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 PSMB5 24/4885KISS1R 3634/4885TMPRSS11D 282/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PSMB5 24/4885KISS1R 3634/4885TMPRSS11D 282/4885
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 21/4885KISS1R 3009/4885TMPRSS11D 388/4885

“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.