SCHEMBL5556498

SCHEMBL5556498

CC(C)C[C@H](CC(=O)O)C(=O)NC(C(=O)N(C)CCc1ccccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MMP9 P14780 6/20 0.41
MMP2 P08253 5/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP14 P50281 1/20 0.41
REN P00797 4/20 0.41
MMP8 P22894 5/20 0.40
HSD11B1 P28845 1/20 0.39
PTGFR P43088 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
CTSD P07339 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL5558486 0.92 MMP9 (0.52) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5552039 0.91 MMP2 (0.42) SMN1; SMN2MMP9MMP2MMP1MMP3
SCHEMBL5552917 0.83 MMP9 (0.54) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5552386 0.83 MMP9 (0.54) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5552389 0.83 MMP9 (0.54) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5552883 0.82 GPR88 (0.52) SMN1; SMN2ALDH1A1MMP9MMP2MMP1
SCHEMBL5556746 0.77 TACR3 (0.52) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5556724 0.75 MMP9 (0.43) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5558617 0.75 MMP9 (0.60) SMN1; SMN2MMP9MMP2MMP1MMP3
SCHEMBL5556464 0.75 MMP9 (0.60) SMN1; SMN2MMP9MMP2MMP1MMP3

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 SMN1; SMN2 4310/4885ALDH1A1 4059/4885MMP9 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.