SCHEMBL4186944

SCHEMBL4186944

COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C(C)C2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.69
LMNA P02545 2/20 0.55
TSHR P16473 4/20 0.54
USP2 O75604 2/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MCOLN3 Q8TDD5 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP19A1 P11511 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRM4 P08173 1/20 0.50
PKM P14618 1/20 0.50
HCRTR1 O43613 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
SCHEMBL4194165 0.92 GPBAR1 (0.64) GPBAR1LMNATSHRUSP2CYP3A4
SCHEMBL4187141 0.92 GPBAR1 (0.64) GPBAR1LMNATSHRUSP2CYP3A4
SCHEMBL4184732 0.87 GPBAR1 (0.61) GPBAR1LMNATSHRUSP2CYP3A4
SCHEMBL4184730 0.87 GPBAR1 (0.61) GPBAR1LMNATSHRUSP2CYP3A4
SCHEMBL4182164 0.87 GPBAR1 (0.61) GPBAR1LMNATSHRUSP2CYP3A4
SCHEMBL6367892 0.84 GPBAR1 (0.97) GPBAR1LMNATSHRUSP2CYP3A4
Sb-756050 SCHEMBL4174350 0.82 GPBAR1 (1.00) GPBAR1LMNATSHRUSP2CYP3A4
SCHEMBL7209087 0.81 GPBAR1 (0.91) GPBAR1LMNATSHRUSP2SMN1; SMN2
SCHEMBL4169679 0.81 ALDH1A1 (0.57) GPBAR1LMNATSHRCYP3A4CYP2C19
SCHEMBL4183520 0.80 GPBAR1 (0.61) GPBAR1LMNATSHRUSP2CYP3A4

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 5 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
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 81/4885LMNA 3674/4885TSHR 576/4885

“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.