SCHEMBL56831

SCHEMBL56831

O=C(NO)C1CCCCC1CS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.51
ADAM17 P78536 7/20 0.50
MMP2 P08253 5/20 0.50
MMP9 P14780 4/20 0.50
MMP8 P22894 3/20 0.50
MMP3 P08254 3/20 0.50
MMP14 P50281 2/20 0.50
MMP7 P09237 2/20 0.50
MMP13 P45452 9/20 0.49
CTSK P43235 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MMP12 P39900 1/20 0.46
ADAMTS4 O75173 1/20 0.45
MEP1B Q16820 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45

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
SCHEMBL61244 0.84 CTSK (0.48) MMP1ADAM17MMP2MMP9MMP13
SCHEMBL8281067 0.83 CTSK (0.54) ADAM17MMP2MMP9CTSK
SCHEMBL4382194 0.78 MMP2 (0.65) MMP1ADAM17MMP2MMP9MMP3
SCHEMBL49294 0.78 MMP2 (0.65) MMP1ADAM17MMP2MMP9MMP3
SCHEMBL4383081 0.78 MMP2 (0.65) MMP1ADAM17MMP2MMP9MMP3
SCHEMBL49295 0.78 MMP2 (0.65) MMP1ADAM17MMP2MMP9MMP3
SCHEMBL48854 0.78 MMP2 (0.65) MMP1ADAM17MMP2MMP9MMP3
SCHEMBL7109249 0.75 ADAM17 (0.58) MMP1ADAM17MMP2MMP9MMP3
SCHEMBL7110953 0.75 ADAM17 (0.56) MMP1ADAM17MMP2MMP9MMP8
SCHEMBL7430258 0.74 MMP2 (0.52) MMP1ADAM17MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129406-B2 Nonpeptide inhibitors of matrix metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2012-03-06 US disclosed
EP-1735274-B1 NONPEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES SOUTHERN RES INST (US) 2009-11-25 EP disclosed
US-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2008-12-18 US disclosed
US-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2008-12-18 US disclosed
WO-2005092844-A1 NONPEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES SOUTHERN RESEARCH INSTITUTE (US) 2005-10-06 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-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases MMP1, MMP3, MMP10 MMP1 1/4885ADAM17 165/4885MMP2 11/4885

“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.