SCHEMBL5877829

SCHEMBL5877829

C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.55
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
GPR119 Q8TDV5 1/20 0.39
PTPRB P23467 1/20 0.38
SYK P43405 1/20 0.37
CYP17A1 P05093 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL5877996 1.00 GRIA4 (0.55) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL6788864 1.00 GRIA4 (0.55) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL6789814 0.87 GRIA4 (0.60) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL6786513 0.85 GRIA4 (0.57) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL2876608 0.82 CTSS (0.43) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL6783719 0.82 GRIA4 (0.63) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL4584209 0.82 GRIA4 (0.63) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL3278989 0.81 GRIA4 (0.53) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL6790065 0.81 GRIA4 (0.61) GRIA4CTSKCTSSCTSLCTSB
SCHEMBL6788018 0.80 GRIA4 (0.60) GRIA4CTSKCTSSCTSLCTSB

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 15 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-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US 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-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 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
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP 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 (4 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 19/4885CTSK 3027/4885CTSS 2176/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GRIA4 20/4885CTSK 3475/4885CTSS 1847/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GRIA4 14/4885CTSK 3515/4885CTSS 2010/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GRIA4 16/4885CTSK 1606/4885CTSS 1376/4885

“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.