SCHEMBL4186845

SCHEMBL4186845

COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 15/20 0.76
USP2 O75604 1/20 0.76
GAA P10253 1/20 0.76
GPBAR1 Q8TDU6 1/20 0.76
PKLR P30613 6/20 0.70
LMNA P02545 2/20 0.70
CYP2C19 P33261 1/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TSHR P16473 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
HTT P42858 2/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL4190670 0.96 PKM (0.81) PKMUSP2GAAGPBAR1PKLR
Sb-756050 SCHEMBL4174350 0.87 GPBAR1 (1.00) PKMUSP2GPBAR1LMNACYP2C19
SCHEMBL6367892 0.85 GPBAR1 (0.97) PKMUSP2GPBAR1LMNACYP2C19
SCHEMBL14384465 0.83 GPBAR1 (0.64) PKMUSP2GAAGPBAR1PKLR
SCHEMBL7209087 0.83 GPBAR1 (0.91) PKMUSP2GPBAR1LMNAALDH1A1
SCHEMBL3830421 0.83 GPBAR1 (0.90) PKMUSP2GAAGPBAR1LMNA
SCHEMBL4184681 0.83 GPBAR1 (0.90) PKMUSP2GAAGPBAR1LMNA
SCHEMBL1722758 0.83 PKM (1.00) PKMPKLRLMNACYP2C19KDM4E
SCHEMBL29548980 0.82 PKM (1.00) PKMUSP2GAAPKLRLMNA
SCHEMBL1710881 0.82 PKM (1.00) PKMUSP2GAAPKLRLMNA

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 PKM 3148/4885USP2 3517/4885GAA 2192/4885

“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.