SCHEMBL5552391

SCHEMBL5552391

CCOC(=O)CC(CC(C)C)C(=O)NCc1ccc(-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.48
HDAC2 Q92769 4/20 0.48
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.42
HDAC3 O15379 1/20 0.41
ADAM17 P78536 1/20 0.41
PPID Q08752 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PSMB5 P28074 1/20 0.40

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 0.85 MMP9 (0.57) HDAC1MMP9MMP8PPARGPPID
SCHEMBL5556727 0.84 MMP9 (0.59) HDAC1MMP9MMP8ALDH1A1MAPT
SCHEMBL5552597 0.83 SCN9A (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL5552466 0.80 ATM (0.49) MMP9MMP8ALDH1A1NPC1RAB9A
SCHEMBL5556442 0.78 TSHR (0.48) MMP9MMP8ALDH1A1HPGDSMN1; SMN2
SCHEMBL5558596 0.78 CTSD (0.49) MMP9MMP8ALDH1A1ADAM17PPID
SCHEMBL5552855 0.78 ERAP2 (0.59) MMP9MMP8PPIDPSMB5
SCHEMBL5556818 0.74 MMP8 (0.56) MMP9MMP8
SCHEMBL27484846 0.73 HDAC1 (0.50) HDAC1HDAC2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5558607 0.73 MAPT (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1

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 HDAC1 466/4885HDAC2 1056/4885MMP9 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.