SCHEMBL4187068

SCHEMBL4187068

COc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc4c(c3)OCO4)C[C@@H]2C)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 9/20 0.63
GLRB P48167 9/20 0.63
USP2 O75604 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
KMT2A Q03164 3/20 0.52
PKM P14618 2/20 0.49
GAA P10253 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
MEN1 O00255 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4180216 0.93 PKM (0.58) GLRA3GLRBUSP2PKMGAA
SCHEMBL4184730 0.87 GPBAR1 (0.61) USP2KMT2APKMGPBAR1HSD17B10
SCHEMBL4182164 0.87 GPBAR1 (0.61) USP2KMT2APKMGPBAR1HSD17B10
SCHEMBL4184732 0.87 GPBAR1 (0.61) USP2KMT2APKMGPBAR1HSD17B10
SCHEMBL4186414 0.81 GPBAR1 (0.52) GLRA3GLRBUSP2MAPTKMT2A
SCHEMBL4169679 0.81 ALDH1A1 (0.57) ALDH1A1PKMGPBAR1L3MBTL1
SCHEMBL4177315 0.80 GPBAR1 (0.53) USP2ALDH1A1KMT2APKMGPBAR1
SCHEMBL4176872 0.80 GPBAR1 (0.53) USP2ALDH1A1KMT2APKMGPBAR1
SCHEMBL4174339 0.78 GPBAR1 (0.51) USP2MAPTKMT2AGPBAR1MEN1
SCHEMBL4186944 0.76 GPBAR1 (0.69) USP2ALDH1A1KMT2APKMGPBAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US claimed
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP claimed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 WO claimed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 WO disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 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 (1 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A GLRA3 1603/4885GLRB 1626/4885USP2 3517/4885

“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.