SCHEMBL4618308

SCHEMBL4618308

CC(C)c1ccc(S(=O)(=O)c2ccc(NCCC#N)cc2)cc1S(=O)(=O)NCC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.44
CNR1 P21554 4/20 0.39
NAMPT P43490 1/20 0.37
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL6101911 0.92 PIK3CD (0.39) CNR2CNR1NAMPT
SCHEMBL6102825 0.88 SFRP1 (0.37) CNR2
SCHEMBL4617093 0.85 CNR2 (0.45) CNR2CNR1NAMPTHTR1ADRD2
SCHEMBL4616909 0.84 CNR2 (0.41) CNR2NAMPTHTR1ADRD2HTR7
SCHEMBL4617752 0.84 HTR1A (0.47) CNR2CNR1HTR1ADRD2HTR7
SCHEMBL4638042 0.81 CNR2 (0.53) CNR2
SCHEMBL4617625 0.78 PIK3CD (0.42) CNR2CNR1
SCHEMBL4618266 0.78 KMT2A (0.48) CNR2HTR1ADRD2HTR7HTR6
SCHEMBL4637629 0.77 PIK3CD (0.41) CNR2HTR1ADRD2HTR7HTR6
SCHEMBL4616319 0.76 PDE4A (0.46)

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 4 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
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US 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 CNR2 3896/4885CNR1 2978/4885NAMPT 3852/4885

“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.