SCHEMBL5877861

SCHEMBL5877861

CN(C)S(=O)(=O)NCCCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.45
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.39
GSK3B P49841 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPY5R Q15761 3/20 0.38
IKBKB O14920 1/20 0.36
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.35
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
SCHEMBL5877345 0.82 GRIA4 (0.61) GRIA4POLBCNR1CYP17A1CYP11B1
SCHEMBL5878462 0.73 GRIA4 (0.64) GRIA4CNR1CYP17A1CYP11B1CYP11B2
SCHEMBL8587196 0.72 GRIA4 (0.44) GRIA4CNR1GSK3BCYP17A1CYP11B1
SCHEMBL28244556 0.72 RARB (0.50) HPGDCYP17A1CYP11B1CYP11B2ALDH1A1
SCHEMBL3845865 0.70 NPY5R (0.78) NPY5RCYP2D6ALDH1A1
SCHEMBL5990708 0.69 HSD17B10 (0.54) HPGDCYP17A1CYP11B1CYP11B2LMNA
SCHEMBL142335 0.69 HSD17B10 (0.54) HPGDCYP17A1CYP11B1CYP11B2LMNA
SCHEMBL22744325 0.69 CYP17A1 (0.47) GRIA4CYP17A1CYP11B1CYP11B2HDAC1
SCHEMBL5412587 0.69 HSD17B10 (0.54) HPGDCYP17A1CYP11B1CYP11B2LMNA
SCHEMBL5877900 0.69 CYP17A1 (0.50) CYP17A1CYP11B1CYP11B2

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 11 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

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 19/4885HPGD 2958/4885POLB 4247/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GRIA4 20/4885HPGD 3090/4885POLB 4606/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GRIA4 14/4885HPGD 2309/4885POLB 3861/4885

“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.