SCHEMBL5558607

SCHEMBL5558607

CCOC(=O)CC(CC(C)C)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
HCRTR1 O43613 1/20 0.48
POLB P06746 2/20 0.45
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 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
SCHEMBL5552382 0.86 MMP1 (0.48) MAPTCHRNA7SMN1; SMN2KDM4EALDH1A1
SCHEMBL5558599 0.76 MMP9 (0.57) NPC1
SCHEMBL5552855 0.75 ERAP2 (0.59) TP53
SCHEMBL5556442 0.73 TSHR (0.48) SMN1; SMN2LMNAALDH1A1
SCHEMBL5552391 0.73 HDAC1 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL5552466 0.71 ATM (0.49) ALDH1A1MEN1KMT2ANPC1
SCHEMBL5558596 0.71 CTSD (0.49) MAPTPOLBALDH1A1KMT2AGAA
SCHEMBL5557781 0.68 ANPEP (0.57) MAPTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL5556818 0.68 MMP8 (0.56)
SCHEMBL12804151 0.67 POLB (0.51) MAPTPOLBCHRNA7SMN1; SMN2LMNA

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 MAPT 4430/4885HCRTR1 4340/4885POLB 3205/4885

“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.