SCHEMBL5877698

SCHEMBL5877698

CC(C)c1ccc(C(C)CN(C)S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
PER2 O15055 5/20 0.38
CRY1 Q16526 5/20 0.38
CRY2 Q49AN0 5/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.36
GRIA4 P48058 2/20 0.36
TYR P14679 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PYCR1 P32322 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5877702 0.81 GRIA4 (0.38) AOC3ALDH1A1LMNAGRIA4TYR
SCHEMBL14132725 0.78 PYCR1 (0.49) LMNAKDM4EPYCR1BCHEACHE
Oxalic Acid SCHEMBL11187806 0.76 LMNA (0.36) AOC3PER2CRY1CRY2ALDH1A1
SCHEMBL13255206 0.71 TP53 (0.42) PER2CRY1CRY2ALDH1A1LMNA
SCHEMBL14316794 0.70 OPRK1 (0.38) ALDH1A1GAAPYCR1
SCHEMBL6755694 0.68 MMP1 (0.43) PER2CRY1CRY2ALDH1A1LMNA
SCHEMBL13467095 0.68 LMNA (0.35) ALDH1A1LMNAKDM4EPYCR1CNR2
SCHEMBL5877696 0.68 GRIA4 (0.62) GRIA4
SCHEMBL20710170 0.67 NPSR1 (0.44) PER2CRY1CRY2ALDH1A1GAA
SCHEMBL11484145 0.67 AOC3 (0.36) AOC3ALDH1A1LMNAKDM4EMAPT

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 10 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-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 (2 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 AOC3 425/4885PER2 3384/4885CRY1 3705/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE AOC3 3627/4885PER2 1497/4885CRY1 3312/4885

“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.