SCHEMBL61244

SCHEMBL61244

O=C(NO)C1CCCCC1CS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
MMP9 P14780 5/20 0.43
MMP2 P08253 4/20 0.43
ADAM17 P78536 10/20 0.41
MMP13 P45452 5/20 0.41
MMP1 P03956 2/20 0.41
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADAM10 O14672 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL55550 0.90 CTSK (0.50) CTSKMMP9MMP2ADAM17MMP13
SCHEMBL56831 0.84 MMP1 (0.51) CTSKMMP9MMP2ADAM17MMP13
SCHEMBL8281067 0.83 CTSK (0.54) CTSKMMP9MMP2ADAM17POLB
SCHEMBL27694744 0.78 ADAM17 (0.53) MMP9MMP2ADAM17MMP13MMP1
SCHEMBL27676230 0.78 ADAM17 (0.53) MMP9MMP2ADAM17MMP13MMP1
SCHEMBL48870 0.78 ADAM17 (0.53) MMP9MMP2ADAM17MMP13MMP1
SCHEMBL48288 0.78 ADAM17 (0.53) MMP9MMP2ADAM17MMP13MMP1
SCHEMBL4613139 0.73 CTSK (0.76) CTSK
SCHEMBL4613133 0.73 CTSK (0.76) CTSK
SCHEMBL4613136 0.73 CTSK (0.76) CTSK

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 CTSK 338/4885MMP9 7/4885MMP2 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.