SCHEMBL54973

SCHEMBL54973

O=C(NO)C1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.59
MMP9 P14780 10/20 0.59
MMP13 P45452 4/20 0.59
MMP14 P50281 3/20 0.59
MMP1 P03956 2/20 0.59
MMP3 P08254 2/20 0.59
ADAM17 P78536 4/20 0.56
CA12 O43570 2/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 1/20 0.46
THRB P10828 1/20 0.46
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MEP1B Q16820 1/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 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
SCHEMBL4385516 1.00 MMP2 (0.59) MMP2MMP9MMP13MMP14MMP1
SCHEMBL48808 1.00 MMP2 (0.59) MMP2MMP9MMP13MMP14MMP1
SCHEMBL48807 1.00 MMP2 (0.59) MMP2MMP9MMP13MMP14MMP1
SCHEMBL49184 0.88 MMP2 (0.63) MMP2MMP9MMP13MMP14MMP1
SCHEMBL49185 0.88 MMP2 (0.63) MMP2MMP9MMP13MMP14MMP1
SCHEMBL49193 0.88 MMP2 (0.63) MMP2MMP9MMP13MMP14MMP1
SCHEMBL4383081 0.86 MMP2 (0.65) MMP2MMP9MMP13MMP14MMP1
SCHEMBL4382194 0.86 MMP2 (0.65) MMP2MMP9MMP13MMP14MMP1
SCHEMBL49295 0.86 MMP2 (0.65) MMP2MMP9MMP13MMP14MMP1
SCHEMBL49294 0.86 MMP2 (0.65) MMP2MMP9MMP13MMP14MMP1

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 6 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
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 MMP2 11/4885MMP9 7/4885MMP13 4/4885

“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.