SCHEMBL49297

SCHEMBL49297

O=C(O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MCOLN2 Q8IZK6 4/20 0.48
MCOLN1 Q9GZU1 4/20 0.48
MCOLN3 Q8TDD5 3/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 4/20 0.47
MMP13 P45452 4/20 0.47
MMP9 P14780 3/20 0.47
MMP14 P50281 3/20 0.47
GFER P55789 1/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGDR Q13258 1/20 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
SCHEMBL49324 1.00 ALDH1A1 (0.49) ALDH1A1MCOLN2MCOLN1MCOLN3GAA
SCHEMBL27694744 0.89 ADAM17 (0.53) ALDH1A1MCOLN2MCOLN1MCOLN3GAA
SCHEMBL27676230 0.89 ADAM17 (0.53) ALDH1A1MCOLN2MCOLN1MCOLN3GAA
SCHEMBL48288 0.89 ADAM17 (0.53) ALDH1A1MCOLN2MCOLN1MCOLN3GAA
SCHEMBL48870 0.89 ADAM17 (0.53) ALDH1A1MCOLN2MCOLN1MCOLN3GAA
SCHEMBL49184 0.85 MMP2 (0.63) ALDH1A1MCOLN2MCOLN1GAANPSR1
SCHEMBL49193 0.85 MMP2 (0.63) ALDH1A1MCOLN2MCOLN1GAANPSR1
SCHEMBL49185 0.85 MMP2 (0.63) ALDH1A1MCOLN2MCOLN1GAANPSR1
SCHEMBL49298 0.84 MCOLN2 (0.38) ALDH1A1MCOLN2MCOLN1MCOLN3GAA
SCHEMBL48635 0.82 MMP2 (0.69) ALDH1A1GAANPSR1MMP2MMP13

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-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

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 ALDH1A1 918/4885MCOLN2 1821/4885MCOLN1 812/4885

“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.