SCHEMBL5893014

SCHEMBL5893014

Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)OC(C)(C)C)C(C)C2C(=O)NO)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.75
ADAM17 P78536 17/20 0.73
MMP1 P03956 16/20 0.73

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
SCHEMBL5892731 0.86 MMP13 (1.00) MMP13ADAM17MMP1
SCHEMBL5892660 0.86 MMP13 (1.00) MMP13ADAM17MMP1
SCHEMBL5892720 0.86 MMP13 (1.00) MMP13ADAM17MMP1
SCHEMBL6381656 0.85 ADAM17 (1.00) MMP13ADAM17MMP1
SCHEMBL6236847 0.85 ADAM17 (1.00) MMP13ADAM17MMP1
SCHEMBL5892712 0.83 ADAM17 (0.52) MMP13ADAM17MMP1
SCHEMBL6238761 0.81 ADAM17 (1.00) MMP13ADAM17MMP1
SCHEMBL6241559 0.81 ADAM17 (1.00) MMP13ADAM17MMP1
SCHEMBL6236703 0.77 ADAM17 (0.84) MMP13ADAM17MMP1
SCHEMBL6237297 0.76 ADAM17 (1.00) MMP13ADAM17MMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030242-B2 Selective inhibition of aggrecanase in osteoarthritis treatment PFIZER INC (US) 2006-04-18 US disclosed
US-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction NOE MARK C 2005-10-13 US disclosed
EP-1081137-A1 Selective inhibitors of aggrecanase in osteoarthritis treatment Pfizer Products Inc. (US) 2001-03-07 EP 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-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction MMP3, MMP1, MMP13 MMP13 3/4885ADAM17 18/4885MMP1 2/4885

“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.