SCHEMBL5552597

SCHEMBL5552597

CCOC(=O)CC(CC(C)C)C(=O)NCc1ccc(-c2cccs2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.45
DPP4 P27487 3/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSF Q9UBX1 1/20 0.37

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
SCHEMBL5552363 0.85 SCN9A (0.47) SCN9ATSHR
SCHEMBL5552391 0.83 HDAC1 (0.48) ALDH1A1KDM4EHPGDNPSR1TDP1
SCHEMBL5556359 0.82 LMNA (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL13710360 0.78 SCN9A (0.56) SCN9ADPP4ALDH1A1KDM4ENPSR1
SCHEMBL13712565 0.71 ALDH1A1 (0.57) SCN9ADPP4ALDH1A1KDM4ELMNA
SCHEMBL5558599 0.71 MMP9 (0.57) HSD17B10RAB9A
SCHEMBL5552855 0.69 ERAP2 (0.59) HSD17B10
SCHEMBL5556727 0.67 MMP9 (0.59) ALDH1A1MAPT
SCHEMBL5558607 0.66 MAPT (0.49) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL14582053 0.66 ALDH1A1 (0.60) DPP4ALDH1A1KDM4EHPGDNPSR1

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 SCN9A 2192/4885DPP4 2823/4885ALDH1A1 4059/4885

“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.