SCHEMBL5552337

SCHEMBL5552337

CCOC(=O)CC(CC(C)C)C(=O)NCCc1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
CTSK P43235 1/20 0.40
TP53 P04637 1/20 0.40
KCNH2 Q12809 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MME P08473 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL5556818 0.91 MMP8 (0.56) MMP8MMP2MMP9
SCHEMBL5558701 0.89 MAPT (0.46) MMP8MMP2MMP9MAPTCTSK
SCHEMBL5556462 0.86 MMP2 (0.63) MMP8MMP2MMP9
SCHEMBL5556645 0.85 KMT2A (0.55) MMP8MMP2MMP9MAPTTP53
SCHEMBL5558599 0.80 MMP9 (0.57) MMP8MMP2MMP9NPC1RAB9A
SCHEMBL5552855 0.79 ERAP2 (0.59) MMP8MMP2MMP9TP53
SCHEMBL5552466 0.79 ATM (0.49) MMP8MMP2MMP9NPC1RAB9A
SCHEMBL4841051 0.76 CA2 (0.47) MMP8MMP2MMP9NPC1RAB9A
SCHEMBL5556442 0.76 TSHR (0.48) MMP8MMP9KCNH2
SCHEMBL5552342 0.75 MMP2 (0.60) MMP8MMP2MMP9MAPTCTSK

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 MMP8 24/4885MMP2 85/4885MMP9 182/4885

“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.