SCHEMBL5557488

SCHEMBL5557488

CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.52
CTSK P43235 4/20 0.52
PPARA Q07869 3/20 0.52
SYK P43405 1/20 0.52
BCL2 P10415 1/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
CTSL P07711 2/20 0.48
CYP3A4 P08684 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CTSB P07858 2/20 0.47
PPARG P37231 2/20 0.47
ATM Q13315 2/20 0.46

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
SCHEMBL17724519 0.92 CTSS (0.60) CTSSCTSKPPARASYKCTSL
SCHEMBL23837230 0.92 CTSS (0.60) CTSSCTSKPPARASYKCTSL
SCHEMBL4689229 0.91 CTSS (0.53) CTSSCTSKPPARASYKCTSL
SCHEMBL9042226 0.91 CTSS (0.53) CTSSCTSKPPARASYKCTSL
SCHEMBL4689227 0.91 CTSS (0.53) CTSSCTSKPPARASYKCTSL
SCHEMBL3379320 0.89 CTSS (0.51) CTSSCTSKPPARASYKCTSL
SCHEMBL192406 0.89 CTSS (0.54) CTSSCTSKPPARASYKBCL2
SCHEMBL192405 0.89 CTSS (0.54) CTSSCTSKPPARASYKBCL2
SCHEMBL13808582 0.86 CTSS (0.54) CTSSCTSKBCL2CTSLCYP3A4
SCHEMBL5558475 0.84 CTSS (0.63) CTSSCTSKLMNAGAACTSL

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 CTSS 596/4885CTSK 306/4885PPARA 3641/4885

“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.