SCHEMBL85179

SCHEMBL85179

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCCI)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.50
CTSL P07711 4/20 0.49
PSMB5 P28074 5/20 0.48
CAPN2 P17655 1/20 0.48
ACE P12821 1/20 0.48
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
TMPRSS11D O60235 1/20 0.47
CTRL P40313 1/20 0.47
CTSB P07858 2/20 0.47
PSMB11 A5LHX3 1/20 0.47
PSMD11 O00231 1/20 0.47
PSMD12 O00232 1/20 0.47
PSMD14 O00487 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMD3 O43242 1/20 0.47
CYP3A4 P08684 1/20 0.47
PSMC3 P17980 1/20 0.47
PSMB1 P20618 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
SCHEMBL84970 0.91 CAPN1 (0.50) CAPN1CTSLPSMB5CAPN2ACE
SCHEMBL92790 0.90 PSMB5 (0.52) PSMB5TMPRSS11DCTRLCTSBPSMB11
SCHEMBL2633243 0.89 PSMB5 (0.52) PSMB5ACETMPRSS11DCTRLCTSB
SCHEMBL14447096 0.87 BIRC2 (0.53) CAPN1PSMB5IL1RNERAP2TMPRSS11D
SCHEMBL2605636 0.83 BIRC2 (0.55) CAPN1PSMB5IL1RNERAP2ERAP1
SCHEMBL9642170 0.83 PSMB5 (0.56) PSMB5
SCHEMBL8267211 0.83 TMPRSS11D (0.47) CAPN1PSMB5TMPRSS11DCTRLCTSB
SCHEMBL21261810 0.82 CAPN1 (0.57) CAPN1CTSLIL1RNERAP2ERAP1
SCHEMBL21261667 0.82 CAPN1 (0.57) CAPN1CTSLIL1RNERAP2ERAP1
SCHEMBL23616279 0.82 CTSL (0.55) CAPN1CTSLCTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CAPN1 276/4885CTSL 203/4885PSMB5 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 CAPN1 242/4885CTSL 177/4885PSMB5 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.