SCHEMBL54207

SCHEMBL54207

O=C(NO)C1CC=CCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.51
MMP2 P08253 12/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 2/20 0.51
MMP3 P08254 6/20 0.49
MMP1 P03956 5/20 0.49
MMP14 P50281 4/20 0.49
MMP13 P45452 2/20 0.49
MMP8 P22894 5/20 0.46
MMP12 P39900 3/20 0.46
ADAM17 P78536 2/20 0.46
MMP7 P09237 1/20 0.46
MEP1B Q16820 1/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL8281070 0.85 HSP90AA1 (0.47) MMP9MMP2MMP3MMP1MMP13
SCHEMBL54973 0.82 MMP2 (0.59) MMP9MMP2CA12CA9MMP3
SCHEMBL48808 0.82 MMP2 (0.59) MMP9MMP2CA12CA9MMP3
SCHEMBL48807 0.82 MMP2 (0.59) MMP9MMP2CA12CA9MMP3
SCHEMBL4385516 0.82 MMP2 (0.59) MMP9MMP2CA12CA9MMP3
SCHEMBL3859738 0.73 ADAM17 (0.79) ADAM17
SCHEMBL3859743 0.73 ADAM17 (0.79) ADAM17
SCHEMBL49184 0.72 MMP2 (0.63) MMP9MMP2MMP3MMP1MMP14
SCHEMBL49193 0.72 MMP2 (0.63) MMP9MMP2MMP3MMP1MMP14
SCHEMBL49185 0.72 MMP2 (0.63) MMP9MMP2MMP3MMP1MMP14

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 4 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-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 MMP9 7/4885MMP2 11/4885CA12 2614/4885

“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.