Sugi Predict

Sugi Predict / Compounds / SCHEMBL85103

SCHEMBL85103

SCHEMBL85103

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ BIRC2 Q13490 1/20 0.55
▸ CAPN1 P07384 2/20 0.55
▸ CYP3A4 P08684 3/20 0.53
▸ CYP3A5 P20815 2/20 0.53
▸ CYP3A7 P24462 2/20 0.53
▸ CYP3A43 Q9HB55 2/20 0.53
▸ PSMB5 P28074 4/20 0.52
▸ PSMB9 P28065 2/20 0.52
▸ TMPRSS11D O60235 1/20 0.52
▸ CTRL P40313 1/20 0.52
▸ PSMB11 A5LHX3 1/20 0.51
▸ PSMD11 O00231 1/20 0.51
▸ PSMD12 O00232 1/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ PSMA7 O14818 1/20 0.51

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
SCHEMBL2605636 0.92 BIRC2 (0.55) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL19474595 0.91 BIRC2 (0.54) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL13893311 0.91 BIRC2 (0.54) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL84540 0.91 BIRC2 (0.54) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL85534 0.90 ACE (0.56) CYP3A4CYP3A5CYP3A7CYP3A43PSMB5
SCHEMBL14447096 0.89 BIRC2 (0.53) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL84947 0.89 BIRC2 (0.53) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL84943 0.88 CAPN1 (0.54) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL85542 0.87 YAP1 (0.53) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL19762061 0.87 ALDH1A1 (0.66) ALDH1A1CYP2C9THRBCYP2C19HSD17B10

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 25 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-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-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
EP-1745064-B1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PROTEOLIX INC (US) 2011-01-05 — — EP 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
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 (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 ALDH1A1 2975/4885CYP2C9 1013/4885THRB 2511/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CYP2C9 1013/4885THRB 2511/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CYP2C9 1013/4885THRB 2511/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CYP2C9 1013/4885THRB 2511/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CYP2C9 1013/4885THRB 2511/4885
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 ALDH1A1 3506/4885CYP2C9 2167/4885THRB 3211/4885

“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.