SCHEMBL5552864

SCHEMBL5552864

CCCC[C@H](CC(=O)N(Cc1ccc(OC)cc1OC)OCc1ccc(OC)cc1)C(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
MMP1 P03956 16/20 0.40
MMP3 P08254 4/20 0.40
MMP2 P08253 3/20 0.40
MMP7 P09237 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP9 P14780 2/20 0.38
ADAM17 P78536 1/20 0.37
FCER2 P06734 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
SCHEMBL5552925 0.93 MMP3 (0.47) PTPN1MMP1MMP3MMP2MMP9
SCHEMBL5556531 0.85 MMP2 (0.43) PTPN1MMP1MMP3MMP2MMP7
SCHEMBL5552457 0.81 KLKB1 (0.44) MMP1MMP3MMP2MMP7MMP8
SCHEMBL5556372 0.81 KLKB1 (0.44) MMP1MMP3MMP2MMP7MMP8
SCHEMBL5557789 0.80 CTSB (0.40) MMP3MMP2MMP8MMP9
SCHEMBL5556660 0.79 MMP2 (0.50) PTPN1MMP1MMP3MMP2MMP7
SCHEMBL5552367 0.76 MMP2 (0.46) PTPN1MMP1MMP3MMP2MMP7
SCHEMBL5557632 0.76 MMP9 (0.46) PTPN1MMP1MMP3MMP2MMP8
SCHEMBL5552462 0.75 TDP1 (0.43) MMP3MMP2
SCHEMBL5556679 0.75 KLKB1 (0.44) PTPN1MMP1MMP3MMP2MMP7

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 PTPN1 4197/4885MMP1 950/4885MMP3 327/4885

“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.