SCHEMBL84958

SCHEMBL84958

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)COP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.50
ERAP1 Q9NZ08 2/20 0.49
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 1/20 0.49
TMPRSS11D O60235 1/20 0.48
CTRL P40313 1/20 0.48
BIRC2 Q13490 1/20 0.48
PSMB5 P28074 4/20 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
CTSB P07858 1/20 0.47
CYP3A4 P08684 1/20 0.47
PSMC3 P17980 1/20 0.47
PSMB1 P20618 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP3A7 P24462 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
SCHEMBL85538 0.93 TMPRSS11D (0.49) CAPN1TMPRSS11DCTRLPSMB5PSMB11
SCHEMBL92779 0.90 PSMB5 (0.49) CAPN1ERAP1IL1RNERAP2TMPRSS11D
SCHEMBL84943 0.88 CAPN1 (0.54) CAPN1ERAP1IL1RNERAP2TMPRSS11D
SCHEMBL84952 0.86 PSMB5 (0.67) TMPRSS11DCTRLPSMB5PSMB11PSMD11
SCHEMBL85103 0.84 ALDH1A1 (0.58) CAPN1TMPRSS11DCTRLBIRC2PSMB5
SCHEMBL2605636 0.84 BIRC2 (0.55) CAPN1ERAP1IL1RNERAP2TMPRSS11D
SCHEMBL84540 0.83 BIRC2 (0.54) CAPN1ERAP1IL1RNERAP2TMPRSS11D
SCHEMBL13893311 0.83 BIRC2 (0.54) CAPN1ERAP1IL1RNERAP2TMPRSS11D
SCHEMBL19474595 0.83 BIRC2 (0.54) CAPN1ERAP1IL1RNERAP2TMPRSS11D
SCHEMBL92776 0.82 PSMB5 (0.50) TMPRSS11DCTRLPSMB5PSMB11PSMD11

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 276/4885ERAP1 36/4885IL1RN 193/4885
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 242/4885ERAP1 26/4885IL1RN 116/4885

“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.