SCHEMBL4187995

SCHEMBL4187995

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC(=O)C2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
LMNA P02545 4/20 0.61
TSHR P16473 4/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
GLA P06280 1/20 0.61
HTT P42858 2/20 0.60
POLB P06746 2/20 0.60
PKM P14618 1/20 0.60
MAPT P10636 1/20 0.59
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MCOLN3 Q8TDD5 2/20 0.54
CASP1 P29466 1/20 0.53

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
SCHEMBL3830421 0.89 GPBAR1 (0.90) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL4184681 0.89 GPBAR1 (0.90) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL4186821 0.87 GPBAR1 (0.68) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL6977881 0.85 GPBAR1 (0.73) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
Sb-756050 SCHEMBL4174350 0.84 GPBAR1 (1.00) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL6367892 0.83 GPBAR1 (0.97) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL7209087 0.83 GPBAR1 (0.91) GPBAR1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL4186363 0.82 GPBAR1 (0.68) GPBAR1SMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL4174434 0.82 GPBAR1 (0.78) GPBAR1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL7205052 0.81 GPBAR1 (0.88) GPBAR1SMN1; SMN2LMNATSHRHSD17B10

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 4 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
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
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 81/4885SMN1; SMN2 1624/4885CYP3A4 249/4885

“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.