SCHEMBL4180216

SCHEMBL4180216

COc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc4c(c3)OCCO4)C[C@@H]2C)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
GLRA3 O75311 7/20 0.55
GLRB P48167 7/20 0.55
PKLR P30613 6/20 0.53
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.49

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
SCHEMBL4187068 0.93 GLRA3 (0.63) PKMUSP2GAAGLRA3GLRB
SCHEMBL4182164 0.87 GPBAR1 (0.61) PKMUSP2SMN1; SMN2GPBAR1
SCHEMBL4184732 0.87 GPBAR1 (0.61) PKMUSP2SMN1; SMN2GPBAR1
SCHEMBL4184730 0.87 GPBAR1 (0.61) PKMUSP2SMN1; SMN2GPBAR1
SCHEMBL4190670 0.83 PKM (0.81) PKMUSP2GAAPKLRKDM4E
SCHEMBL4186845 0.82 PKM (0.76) PKMUSP2GAAPKLRKDM4E
SCHEMBL4169679 0.81 ALDH1A1 (0.57) PKMPKLRSMN1; SMN2GPBAR1
SCHEMBL4177315 0.80 GPBAR1 (0.53) PKMUSP2SMN1; SMN2GPBAR1
SCHEMBL4176872 0.80 GPBAR1 (0.53) PKMUSP2SMN1; SMN2GPBAR1
SCHEMBL4186414 0.79 GPBAR1 (0.52) USP2GLRA3GLRBSMN1; SMN2GPBAR1

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 PKM 3148/4885USP2 3517/4885GAA 2192/4885

“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.