SCHEMBL4187616

SCHEMBL4187616

COc1ccc(S(=O)(=O)N2CCC(N(CC(C)C)S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.50
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EP300 Q09472 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL4180062 0.88 POLB (0.57) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4174455 0.88 POLB (0.57) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4184648 0.88 POLB (0.57) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4184190 0.86 POLB (0.56) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4187969 0.86 POLB (0.56) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4184653 0.86 POLB (0.56) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4181758 0.84 POLB (0.56) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4180157 0.83 POLB (0.57) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4177341 0.83 POLB (0.57) POLBGPBAR1TSHRSMN1; SMN2HDAC3
SCHEMBL4179427 0.83 POLB (0.57) POLBGPBAR1TSHRSMN1; SMN2HDAC3

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 POLB 4819/4885GPBAR1 81/4885TSHR 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.