SCHEMBL4176441

SCHEMBL4176441

COc1ccc(S(=O)(=O)N2[C@H](C)CN(S(=O)(=O)c3ccc(OC)c(OC)c3)C[C@@H]2C)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.53
TSHR P16473 3/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 1/20 0.45
CHRM4 P08173 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL4187163 0.92 GPBAR1 (0.61) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4181445 0.92 GPBAR1 (0.61) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4183520 0.92 GPBAR1 (0.61) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4184715 0.92 GPBAR1 (0.61) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL14384041 0.92 GPBAR1 (0.61) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4194067 0.86 GPBAR1 (0.54) GPBAR1TSHRMAPK1SMN1; SMN2USP2
SCHEMBL4187473 0.86 GPBAR1 (0.54) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4186375 0.85 GPBAR1 (0.53) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4187127 0.83 GPBAR1 (0.51) GPBAR1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4174514 0.83 GPBAR1 (0.51) GPBAR1TSHRMAPTMAPK1SMN1; SMN2

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 GPBAR1 81/4885TSHR 576/4885MAPT 1286/4885

“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.