SCHEMBL4184653

SCHEMBL4184653

CCCN([C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.51
CACNA1B Q00975 1/20 0.49
CACNA1C Q13936 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP19A1 P11511 1/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL4187969 1.00 POLB (0.56) POLBGPBAR1CACNA1BCACNA1CMEN1
SCHEMBL4184190 1.00 POLB (0.56) POLBGPBAR1CACNA1BCACNA1CMEN1
SCHEMBL4180062 0.91 POLB (0.57) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4174455 0.91 POLB (0.57) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4184648 0.91 POLB (0.57) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4187616 0.86 POLB (0.52) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4181758 0.85 POLB (0.56) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4190644 0.85 POLB (0.66) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4179427 0.84 POLB (0.57) POLBGPBAR1MEN1KMT2ACYP19A1
SCHEMBL4180157 0.84 POLB (0.57) POLBGPBAR1MEN1KMT2ACYP19A1

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 81/4885CACNA1B 213/4885

“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.