SCHEMBL4617178

SCHEMBL4617178

CCC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDO2 P48775 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
GBA1 P04062 1/20 0.38
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.36
HSD11B1 P28845 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4619047 0.91 CA1 (0.50) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL4617862 0.84 CA1 (0.44) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL4617754 0.83 CA1 (0.44) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL6102023 0.83 CA1 (0.47) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL6102667 0.83 CA1 (0.47) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL4617956 0.80 ACHE (0.41) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL4618568 0.80 L3MBTL1 (0.53) ALDH1A1LMNA
SCHEMBL4619044 0.79 TDO2 (0.46) CA1CA2HTR2AHTR2CKCNH2
SCHEMBL4616319 0.78 PDE4A (0.46) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4673207 0.77 ALOX5AP (0.40) CA1CA2HTR2AHTR2CKCNH2

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 CA1 1450/4885CA2 2749/4885HTR2A 4158/4885

“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.