SCHEMBL5877875

SCHEMBL5877875

COc1ccc(-c2ccc(C(C)CNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.62
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
MEP1B Q16820 1/20 0.45
MMP9 P14780 4/20 0.44
MMP2 P08253 4/20 0.44
MMP8 P22894 4/20 0.44
MMP13 P45452 3/20 0.44
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL5877646 0.83 GRIA4 (0.74) GRIA4GRIA1GRIA2GRIA3ALDH1A1
SCHEMBL5878488 0.81 GRIA4 (0.63) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL5878032 0.81 GRIA4 (0.68) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL5878331 0.79 GRIA4 (0.68) GRIA4GRIA1GRIA2GRIA3
SCHEMBL5878316 0.79 GRIA4 (0.76) GRIA4GRIA1GRIA2GRIA3MMP9
SCHEMBL5878442 0.78 GRIA4 (0.59) GRIA4CA1CA2ACHEALDH1A1
SCHEMBL12818295 0.77 GRIA4 (0.68) GRIA4GRIA1GRIA2GRIA3ACHE
SCHEMBL5878289 0.77 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3
SCHEMBL5877877 0.76 GRIA4 (0.66) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL5878027 0.74 GRIA4 (0.62) GRIA4GRIA1GRIA2GRIA3MMP9

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 19/4885GRIA1 39/4885GRIA2 18/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GRIA4 20/4885GRIA1 17/4885GRIA2 27/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GRIA4 14/4885GRIA1 15/4885GRIA2 9/4885

“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.