Sugi Predict

Sugi Predict / Compounds / SCHEMBL85104

SCHEMBL85104

SCHEMBL85104

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS11D O60235 1/20 0.54
▸ CTRL P40313 1/20 0.54
▸ PSMB5 P28074 7/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP3A5 P20815 2/20 0.54
▸ CYP3A7 P24462 2/20 0.54
▸ CYP3A43 Q9HB55 2/20 0.54
▸ PSMB8 P28062 2/20 0.54
▸ PSMB9 P28065 2/20 0.54
▸ PSMB10 P40306 2/20 0.54
▸ PSMB2 P49721 2/20 0.54
▸ PSMB11 A5LHX3 1/20 0.54
▸ PSMD11 O00231 1/20 0.54
▸ PSMD12 O00232 1/20 0.54
▸ PSMD14 O00487 1/20 0.54
▸ PSMA7 O14818 1/20 0.54
▸ PSMD3 O43242 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ PSMC3 P17980 1/20 0.54
▸ PSMB1 P20618 1/20 0.54

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
SCHEMBL84947 0.91 BIRC2 (0.53) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL85534 0.88 ACE (0.56) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL13019967 0.88 PSMB5 (0.60) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL84544 0.88 TMPRSS11D (0.51) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL84923 0.87 PSMB5 (0.61) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL2633256 0.87 ACE (0.55) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL17629488 0.87 ACE (0.55) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL17629489 0.87 ACE (0.55) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL12957256 0.86 PSMB5 (0.62) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL85016 0.86 PSMB5 (0.73) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5

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 22 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-8207125-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-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-20120094929-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 — — US disclosed
US-20120094930-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-20120094929-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TMPRSS11D 282/4885CTRL 4/4885PSMB5 24/4885
US-20080200398-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 TMPRSS11D 282/4885CTRL 4/4885PSMB5 24/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TMPRSS11D 282/4885CTRL 4/4885PSMB5 24/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TMPRSS11D 282/4885CTRL 4/4885PSMB5 24/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TMPRSS11D 282/4885CTRL 4/4885PSMB5 24/4885
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 TMPRSS11D 388/4885CTRL 8/4885PSMB5 21/4885

“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.