SCHEMBL5877834

SCHEMBL5877834

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.39
GRIA4 P48058 2/20 0.38
GABBR2 O75899 4/20 0.36
GABBR1 Q9UBS5 4/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD3 P35462 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL6788866 1.00 GPR119 (0.39) GPR119GRIA4GABBR2GABBR1LMNA
SCHEMBL5878001 1.00 GPR119 (0.39) GPR119GRIA4GABBR2GABBR1LMNA
SCHEMBL6789815 0.86 GRIA4 (0.43) GRIA4GABBR2GABBR1LMNACYP2C9
SCHEMBL6786517 0.84 GRIA4 (0.41) GRIA4GABBR2GABBR1LMNACYP2C9
SCHEMBL6788712 0.80 GABBR2 (0.43) GRIA4GABBR2GABBR1LMNACYP2C9
SCHEMBL21656591 0.79 GABBR2 (0.43) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL6789269 0.78 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL5877532 0.78 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL5877614 0.78 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL5877648 0.78 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9MEN1

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
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO 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 GPR119 82/4885GRIA4 19/4885GABBR2 74/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GPR119 75/4885GRIA4 20/4885GABBR2 236/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GPR119 181/4885GRIA4 14/4885GABBR2 51/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GPR119 126/4885GRIA4 16/4885GABBR2 157/4885

“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.