SCHEMBL5877993

SCHEMBL5877993

CC(COS(C)(=O)=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
GAA P10253 1/20 0.35
GRIA4 P48058 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALOX5 P09917 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
PYCR1 P32322 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5878353 1.00 PLCG1 (0.38) PLCG1GAAGRIA4CYP1A2ALOX5
SCHEMBL5877986 1.00 PLCG1 (0.38) PLCG1GAAGRIA4CYP1A2ALOX5
SCHEMBL11041736 0.84 GRIA4 (0.45) GAAGRIA4ALDH1A1
SCHEMBL11857239 0.82 CA1 (0.40) GAAGRIA4ALDH1A1MEN1KMT2A
SCHEMBL18359541 0.82 PTGES2 (0.40) GRIA4ALDH1A1
SCHEMBL11958126 0.82 CA1 (0.39) GRIA4CYP1A2MMP1MMP2MMP9
SCHEMBL7255639 0.81 TAAR1 (0.45) GRIA4
SCHEMBL7259968 0.81 TAAR1 (0.45) GRIA4
SCHEMBL7255641 0.81 TAAR1 (0.45) GRIA4
SCHEMBL7381388 0.79 CXCR1 (0.48) ALOX5ALDH1A1

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 PLCG1 3749/4885GAA 3072/4885GRIA4 19/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 PLCG1 3232/4885GAA 3010/4885GRIA4 20/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE PLCG1 3612/4885GAA 2051/4885GRIA4 14/4885

“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.