SCHEMBL4619031

SCHEMBL4619031

CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCC1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.37
HTR6 P50406 2/20 0.37
CYP3A4 P08684 1/20 0.36
SCN9A Q15858 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
ACP1 P24666 4/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PIK3CA P42336 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL4637629 0.83 PIK3CD (0.41) HTR6HTR1ADRD2HTR7CA1
SCHEMBL4617754 0.77 CA1 (0.44) HTR2CCA1CA2SMN1; SMN2LMNA
SCHEMBL4618215 0.75 SIGMAR1 (0.51) HTR6HTR1ADRD2HTR7SMN1; SMN2
SCHEMBL4617906 0.75 SFRP1 (0.56) BRD3HTR6HTR1ADRD2HTR7
SCHEMBL4617752 0.75 HTR1A (0.47) HTR6HTR1ADRD2HTR7MEN1
SCHEMBL4616319 0.74 PDE4A (0.46) CYP3A4CA1CA2SMN1; SMN2LMNA
SCHEMBL4617601 0.73 HTR1A (0.44) HTR6HTR1ADRD2HTR7SMN1; SMN2
SCHEMBL4616210 0.73 KDM4E (0.46) HTR6CYP3A4HTR1ADRD2HTR7
SCHEMBL4617920 0.73 HTR1A (0.45) HTR6HTR1ADRD2HTR7KMT2A
SCHEMBL4616241 0.73 PIK3CD (0.39) HTR6HTR1ADRD2HTR7CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP claimed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US claimed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO claimed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 BRD3 2073/4885HTR6 3789/4885CYP3A4 3233/4885

“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.