SCHEMBL4169679

SCHEMBL4169679

COc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(OC)c(OC)c3)C[C@@H]2C)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
GLA P06280 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
HSD11B1 P28845 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL4182164 0.93 GPBAR1 (0.61) LMNAGLAHTTGPBAR1L3MBTL1
SCHEMBL4184732 0.93 GPBAR1 (0.61) LMNAGLAHTTGPBAR1L3MBTL1
SCHEMBL4184730 0.93 GPBAR1 (0.61) LMNAGLAHTTGPBAR1L3MBTL1
SCHEMBL4177315 0.85 GPBAR1 (0.53) ALDH1A1LMNAGLAHTTTDP1
SCHEMBL4176872 0.85 GPBAR1 (0.53) ALDH1A1LMNAGLAGPBAR1L3MBTL1
SCHEMBL4186414 0.84 GPBAR1 (0.52) LMNAGLAGPBAR1L3MBTL1SMN1; SMN2
SCHEMBL4194067 0.83 GPBAR1 (0.54) ALDH1A1LMNAGLAHTTTDP1
SCHEMBL4174339 0.83 GPBAR1 (0.51) LMNAGLAGPBAR1L3MBTL1SMN1; SMN2
SCHEMBL4180216 0.81 PKM (0.58) GPBAR1SMN1; SMN2PKMPKLR
SCHEMBL4187068 0.81 GLRA3 (0.63) ALDH1A1GPBAR1L3MBTL1PKM

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 ALDH1A1 669/4885LMNA 3674/4885GLA 2635/4885

“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.