SCHEMBL5557728

SCHEMBL5557728

CCCC[C@H](CC(=O)N(Cc1ccc(OC)cc1OC)OCc1ccc(OC)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@](C=O)(Cc1ccccc1)C1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.35
MMP2 P08253 4/20 0.35
MMP1 P03956 4/20 0.35
KLKB1 P03952 4/20 0.34
KLK1 P06870 3/20 0.34
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
NCOR2 Q9Y618 2/20 0.31
GHSR Q92847 2/20 0.31
BIRC2 Q13490 1/20 0.31
PTPN1 P18031 1/20 0.31
NPC1 O15118 1/20 0.30
MC4R P32245 1/20 0.30
MMP7 P09237 1/20 0.30

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
SCHEMBL5552747 0.83 MMP2 (0.46) MMP3MMP2MMP1MMP9MMP8
SCHEMBL5557731 0.83 KLKB1 (0.42) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5552457 0.82 KLKB1 (0.44) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5556372 0.82 KLKB1 (0.44) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5557724 0.81 KLKB1 (0.36) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5556679 0.81 KLKB1 (0.44) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5552392 0.79 KLKB1 (0.36) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5556531 0.79 MMP2 (0.43) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5556605 0.79 MMP2 (0.47) MMP3MMP2MMP1KLKB1KLK1
SCHEMBL5552593 0.74 CTSS (0.55) CTSLCTSSCTSK

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 1 patent. 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

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 MMP3 327/4885MMP2 85/4885MMP1 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.