SCHEMBL4617752

SCHEMBL4617752

CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
CNR2 P34972 6/20 0.44
CNR1 P21554 2/20 0.42
HSP90AB1 P08238 1/20 0.41
NPC1 O15118 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IDH2 P48735 1/20 0.40
PARG Q86W56 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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 0.90 PIK3CD (0.41) HTR1ADRD2HTR7HTR6CNR2
SCHEMBL6102894 0.90 HTR1A (0.45) HTR1ADRD2HTR7HTR6CNR2
SCHEMBL4617093 0.89 CNR2 (0.45) HTR1ADRD2HTR7HTR6CNR2
SCHEMBL4638042 0.88 CNR2 (0.53) CNR2MEN1KMT2APARG
SCHEMBL4618971 0.86 TP53 (0.47) CNR2CNR1NPC1MEN1KMT2A
SCHEMBL4617904 0.85 CNR2 (0.45) HTR1ADRD2HTR7HTR6CNR2
SCHEMBL4618266 0.84 KMT2A (0.48) HTR1ADRD2HTR7HTR6CNR2
SCHEMBL4618308 0.84 CNR2 (0.44) HTR1ADRD2HTR7HTR6CNR2
SCHEMBL6103313 0.84 HTR1A (0.42) HTR1ADRD2HTR7HTR6KMT2A
SCHEMBL4618659 0.84 L3MBTL1 (0.55) CNR2CNR1MEN1KMT2AHPGD

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 HTR1A 3561/4885DRD2 4401/4885HTR7 3430/4885

“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.