SCHEMBL49298

SCHEMBL49298

O=C(O)C1CCCCC1NS(=O)(=O)c1ccccc1N=Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 4/20 0.38
MCOLN1 Q9GZU1 4/20 0.38
MCOLN3 Q8TDD5 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 6/20 0.38
GFER P55789 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPY5R Q15761 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL4385195 0.90 ADAM17 (0.42) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL49324 0.84 ALDH1A1 (0.49) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL49297 0.84 ALDH1A1 (0.49) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL27676230 0.74 ADAM17 (0.53) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL48870 0.74 ADAM17 (0.53) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL48288 0.74 ADAM17 (0.53) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL27694744 0.74 ADAM17 (0.53) MCOLN2MCOLN1MCOLN3GAAALDH1A1
SCHEMBL49184 0.72 MMP2 (0.63) MCOLN2MCOLN1GAAALDH1A1GFER
SCHEMBL49185 0.72 MMP2 (0.63) MCOLN2MCOLN1GAAALDH1A1GFER
SCHEMBL49193 0.72 MMP2 (0.63) MCOLN2MCOLN1GAAALDH1A1GFER

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 MCOLN2 1821/4885MCOLN1 812/4885MCOLN3 2396/4885

“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.