SCHEMBL5552437

SCHEMBL5552437

COc1ccc(-c2ccc(C[C@H](N)C(=O)NC(CC(C)C)C(N)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 15/20 0.54
▸ MMP3 P08254 4/20 0.54
▸ MMP9 P14780 2/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ MMP2 P08253 3/20 0.50
▸ ANPEP P15144 1/20 0.49
▸ MMP7 P09237 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 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
SCHEMBL5556573 0.90 MME (0.49) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL28221966 0.87 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221962 0.87 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28222036 0.87 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL5557445 0.83 OPRD1 (0.48) —
SCHEMBL17147126 0.83 NPY4R (0.59) —
SCHEMBL5558798 0.82 MMP1 (0.74) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL5552838 0.82 FCER2 (0.48) MMP1MMP3MMP2MMP7
SCHEMBL9417269 0.81 MMP1 (0.54) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL12057953 0.81 LTA4H (0.62) MMP1MMP3MMP2

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 MMP1 950/4885MMP3 327/4885MMP9 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.

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