SCHEMBL5557763

SCHEMBL5557763

CC(C)C[C@H](CC(=O)O)C(=O)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.64
MMP9 P14780 7/20 0.64
MMP1 P03956 2/20 0.56
FCER2 P06734 1/20 0.56
MMEL1 Q495T6 1/20 0.55
BACE1 P56817 1/20 0.52
MMP2 P08253 3/20 0.52
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
ANPEP P15144 1/20 0.50
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL5558630 0.88 MMP9 (0.80) MMP8MMP9MMP1FCER2MMP2
SCHEMBL5557538 0.88 MMP9 (0.80) MMP8MMP9MMP1FCER2MMP2
SCHEMBL5556556 0.86 MMP9 (0.60) MMP8MMP9MMP1FCER2BACE1
SCHEMBL5556562 0.86 MMP9 (0.60) MMP8MMP9MMP1FCER2BACE1
SCHEMBL5558599 0.85 MMP9 (0.57) MMP8MMP9MMP1FCER2BACE1
SCHEMBL5552841 0.84 MMP9 (0.56) MMP8MMP9MMP1FCER2BACE1
SCHEMBL4840160 0.81 MMP9 (0.60) MMP8MMP9MMP1FCER2MMEL1
SCHEMBL5552744 0.81 MMP8 (0.50) MMP8MMP9MMP1FCER2BACE1
SCHEMBL5558416 0.81 MMP9 (0.55) MMP8MMP9MMP1FCER2MMP2
SCHEMBL5558413 0.81 MMP9 (0.55) MMP8MMP9MMP1FCER2MMP2

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 MMP8 24/4885MMP9 182/4885MMP1 950/4885

“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.