SCHEMBL4174434

SCHEMBL4174434

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.78
PKM P14618 4/20 0.76
PKLR P30613 2/20 0.76
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
LMNA P02545 4/20 0.65
TSHR P16473 3/20 0.65
USP2 O75604 1/20 0.65
GLA P06280 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
POLB P06746 2/20 0.64
KDM4E B2RXH2 2/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL4184681 0.92 GPBAR1 (0.90) GPBAR1PKMLMNATSHRUSP2
SCHEMBL3830421 0.92 GPBAR1 (0.90) GPBAR1PKMLMNATSHRUSP2
Sb-756050 SCHEMBL4174350 0.88 GPBAR1 (1.00) GPBAR1PKMLMNATSHRUSP2
SCHEMBL31315853 0.87 PKM (1.00) PKMPKLRNPC1RAB9ALMNA
SCHEMBL1722721 0.87 PKM (1.00) PKMPKLRNPC1RAB9ALMNA
SCHEMBL6367892 0.86 GPBAR1 (0.97) GPBAR1PKMLMNATSHRUSP2
SCHEMBL7209087 0.86 GPBAR1 (0.91) GPBAR1PKMLMNATSHRUSP2
SCHEMBL7205052 0.84 GPBAR1 (0.88) GPBAR1LMNATSHRUSP2GLA
SCHEMBL4183674 0.84 GPBAR1 (0.76) GPBAR1PKMLMNATSHRUSP2
SCHEMBL4194067 0.83 GPBAR1 (0.54) GPBAR1PKMPKLRNPC1RAB9A

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 81/4885PKM 3148/4885PKLR 2755/4885

“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.