SCHEMBL5877971

SCHEMBL5877971

CC(CNS(=O)(=O)C(C)C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 12/20 0.66
GRIA2 P42262 3/20 0.54
GRIA1 P42261 1/20 0.54
GRIA3 P42263 1/20 0.54
PLAU P00749 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
PGR P06401 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6556147 0.87 GRIA4 (0.52) GRIA4GRIA2GRIA1GRIA3MEN1
SCHEMBL5878346 0.83 GRIA4 (0.60) GRIA4GRIA2GRIA1GRIA3CA1
SCHEMBL6556293 0.83 GRIA4 (0.60) GRIA4GRIA2GRIA1GRIA3CA1
SCHEMBL7028291 0.82 GRIA4 (0.63) GRIA4GRIA2GRIA1GRIA3MEN1
SCHEMBL5878433 0.80 GRIA4 (1.00) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5992693 0.80 GRIA4 (0.87) GRIA4GRIA2GRIA1GRIA3
SCHEMBL13255761 0.80 GRIA4 (0.87) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5877649 0.79 GRIA4 (0.71) GRIA4GRIA2GRIA1GRIA3
SCHEMBL7026830 0.77 GRIA4 (0.74) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5878499 0.77 GRIA4 (0.67) GRIA4GRIA2GRIA1GRIA3CA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 EP disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 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 (3 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 GRIA4 19/4885GRIA2 18/4885GRIA1 39/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GRIA4 20/4885GRIA2 27/4885GRIA1 17/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GRIA4 14/4885GRIA2 9/4885GRIA1 15/4885

“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.