SCHEMBL5552501

SCHEMBL5552501

CC(C)CC(CC(=O)NO)C(=O)NCc1ccc(-c2csnn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.55
MMP8 P22894 10/20 0.55
CTSD P07339 2/20 0.51
MMP1 P03956 2/20 0.51
FCER2 P06734 1/20 0.51
MGLL Q99685 1/20 0.48
MMP2 P08253 8/20 0.47
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTPN1 P18031 1/20 0.43
MMP7 P09237 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL5558596 0.85 CTSD (0.49) MMP9MMP8CTSDMGLLKMT2A
SCHEMBL5557538 0.80 MMP9 (0.80) MMP9MMP8MMP1FCER2MMP2
SCHEMBL5558630 0.80 MMP9 (0.80) MMP9MMP8MMP1FCER2MMP2
SCHEMBL12573089 0.77 MGLL (0.52) CTSDMGLLKMT2AALDH1A1POLB
SCHEMBL5556727 0.77 MMP9 (0.59) MMP9MMP8MMP1FCER2MMP2
SCHEMBL5558476 0.75 MMP9 (0.60) MMP9MMP8MMP1FCER2MMP2
SCHEMBL17335700 0.75 MGLL (0.57) CTSDMGLLKMT2AALDH1A1POLB
SCHEMBL5552823 0.72 MMP9 (0.62) MMP9MMP8MMP1FCER2MMP2
SCHEMBL7979588 0.72 MGLL (0.60) CTSDMGLLKMT2AALDH1A1POLB
SCHEMBL5556787 0.70 ERAP2 (0.69) MMP9MMP8MMP1FCER2MMP2

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 MMP9 182/4885MMP8 24/4885CTSD 648/4885

“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.