SCHEMBL5557789

SCHEMBL5557789

CCCC[C@H](CC(=O)N(Cc1ccc(OC)cc1OC)OCc1ccc(OC)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(N)=O)C(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
LCK P06239 2/20 0.39
GRB2 P62993 1/20 0.39
MMP3 P08254 1/20 0.38
PSMB8 P28062 5/20 0.38
CTSD P07339 2/20 0.37
PSMB11 A5LHX3 4/20 0.36
PSMA7 O14818 4/20 0.36
PSMB1 P20618 4/20 0.36
PSMA1 P25786 4/20 0.36
PSMA2 P25787 4/20 0.36
PSMA3 P25788 4/20 0.36
PSMA4 P25789 4/20 0.36
PSMB9 P28065 4/20 0.36
PSMA5 P28066 4/20 0.36

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
SCHEMBL5556455 0.90 CTSB (0.47) CTSBCTSKMMEACECPA1
SCHEMBL5557796 0.82 CTSD (0.35) MMP3PSMB8CTSDPSMB11PSMA7
SCHEMBL5557632 0.82 MMP9 (0.46) CTSBCTSKMMP3CTSDMMP2
SCHEMBL5556531 0.81 MMP2 (0.43) MMP3CCKBRCCKARMMP2MMP9
SCHEMBL5552457 0.81 KLKB1 (0.44) MMP3CCKBRCCKARMMP2MMP9
SCHEMBL5556372 0.81 KLKB1 (0.44) MMP3CCKBRCCKARMMP2MMP9
SCHEMBL5552925 0.81 MMP3 (0.47) MMP3MMP2MMP9
SCHEMBL5552864 0.80 PTPN1 (0.40) MMP3MMP2MMP9MMP8
SCHEMBL5557641 0.78 MMP9 (0.45) LCKCTSDMMP2MMP9MMP8
SCHEMBL5552415 0.77 MMP2 (0.57) MMEACECPA1ACE2MMP3

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 CTSB 239/4885CTSK 306/4885MME 462/4885

“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.