SCHEMBL5552855

SCHEMBL5552855

CCOC(=O)CC(CC(C)C)C(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
LNPEP Q9UIQ6 1/20 0.59
MMP9 P14780 4/20 0.49
MMP8 P22894 4/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
MMP1 P03956 1/20 0.47
FCER2 P06734 1/20 0.47
ATM Q13315 1/20 0.46
AOC3 Q16853 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PPID Q08752 1/20 0.44
MMP2 P08253 1/20 0.44
KCNB1 Q14721 1/20 0.44
TP53 P04637 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL5558599 0.90 MMP9 (0.57) ERAP2ERAP1LNPEPMMP9MMP8
SCHEMBL5552466 0.85 ATM (0.49) ERAP2ERAP1LNPEPMMP9MMP8
SCHEMBL5556787 0.83 ERAP2 (0.69) ERAP2ERAP1LNPEPMMP9MMP8
SCHEMBL5556818 0.81 MMP8 (0.56) MMP9MMP8MMP1HSD17B10MMP2
SCHEMBL5556442 0.81 TSHR (0.48) MMP9MMP8PPID
SCHEMBL5552337 0.79 MMP8 (0.47) MMP9MMP8MMP2TP53
SCHEMBL5552391 0.78 HDAC1 (0.48) MMP9MMP8PSMB5PPID
SCHEMBL5558701 0.77 MAPT (0.46) MMP9MMP8ATMMMP2
SCHEMBL18638228 0.76 ERAP2 (0.67) ERAP2ERAP1LNPEPPSMB1PSMB5
SCHEMBL18896440 0.75 ERAP2 (0.60) ERAP2ERAP1LNPEPPSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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 (1 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF ERAP2 1226/4885ERAP1 1012/4885LNPEP 834/4885

“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.