SCHEMBL4174514

SCHEMBL4174514

COc1cccc(S(=O)(=O)N2[C@H](C)CN(S(=O)(=O)c3ccc(OC)c(OC)c3)C[C@@H]2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.51
PKM P14618 2/20 0.51
PKLR P30613 1/20 0.51
TSHR P16473 3/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PAX8 Q06710 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 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
SCHEMBL4174617 1.00 GPBAR1 (0.51) GPBAR1PKMPKLRTSHRPOLB
SCHEMBL4183520 0.90 GPBAR1 (0.61) GPBAR1PKMTSHRPOLBHTT
SCHEMBL4181445 0.90 GPBAR1 (0.61) GPBAR1PKMTSHRPOLBHTT
SCHEMBL14384041 0.90 GPBAR1 (0.61) GPBAR1PKMTSHRPOLBHTT
SCHEMBL4187163 0.90 GPBAR1 (0.61) GPBAR1PKMTSHRPOLBHTT
SCHEMBL4184715 0.90 GPBAR1 (0.61) GPBAR1PKMTSHRPOLBHTT
SCHEMBL4194067 0.89 GPBAR1 (0.54) GPBAR1PKMPKLRTSHRHTT
SCHEMBL4187473 0.84 GPBAR1 (0.54) GPBAR1PKMTSHRPOLBHTT
SCHEMBL4186375 0.83 GPBAR1 (0.53) GPBAR1PKMTSHRPOLBHTT
SCHEMBL4176441 0.83 GPBAR1 (0.53) GPBAR1PKMTSHRPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.