SCHEMBL85084

SCHEMBL85084

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.52
ACE P12821 2/20 0.51
MMP2 P08253 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
TMPRSS11D O60235 1/20 0.51
CTRL P40313 1/20 0.51
MMP3 P08254 1/20 0.51
PSMB5 P28074 4/20 0.50
PSMB11 A5LHX3 1/20 0.50
PSMD11 O00231 1/20 0.50
PSMD12 O00232 1/20 0.50
PSMD14 O00487 1/20 0.50
PSMA7 O14818 1/20 0.50
PSMD3 O43242 1/20 0.50
CTSB P07858 1/20 0.50
CYP3A4 P08684 1/20 0.50
PSMC3 P17980 1/20 0.50

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
SCHEMBL84943 0.92 CAPN1 (0.54) CAPN1TMPRSS11DCTRLPSMB5PSMB11
SCHEMBL92603 0.88 PSMB5 (0.51) ACEMMP2MMP7MMP9MMP12
SCHEMBL85538 0.88 TMPRSS11D (0.49) CAPN1ACEMMP2MMP7MMP9
SCHEMBL13019967 0.86 PSMB5 (0.60) ACEMMP2MMP7MMP9MMP12
SCHEMBL85534 0.86 ACE (0.56) ACEMMP2MMP7MMP9MMP12
SCHEMBL17629489 0.85 ACE (0.55) ACEMMP2MMP7MMP9MMP12
SCHEMBL2633256 0.85 ACE (0.55) ACEMMP2MMP7MMP9MMP12
SCHEMBL17629488 0.85 ACE (0.55) ACEMMP2MMP7MMP9MMP12
SCHEMBL8268437 0.85 TMPRSS11D (0.47) ACEMMP2MMP7MMP9MMP12
SCHEMBL12957256 0.84 PSMB5 (0.62) ACEMMP2MMP7MMP9MMP12

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 4 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-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 276/4885ACE 305/4885MMP2 214/4885
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 242/4885ACE 534/4885MMP2 273/4885

“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.