SCHEMBL4618668

SCHEMBL4618668

CC(C)c1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCC(O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.48
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
NAMPT P43490 2/20 0.47
CYP2C9 P11712 1/20 0.47
TBXAS1 P24557 7/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4618568 0.92 L3MBTL1 (0.53) ADRB3ADRB2ADRB1ALDH1A1L3MBTL1
SCHEMBL4618019 0.90 SFRP1 (0.45) ALDH1A1
SCHEMBL4617862 0.84 CA1 (0.44) ADRB3ALDH1A1L3MBTL1
SCHEMBL4617909 0.83 SFRP1 (0.52) ADRB3ADRB2ADRB1TBXAS1
SCHEMBL4615670 0.82 PKM (0.43) ALDH1A1
SCHEMBL4618044 0.81 ADRB3 (0.50) ADRB3ADRB2ADRB1NAMPTCYP2C9
SCHEMBL4617541 0.80 L3MBTL1 (0.55) ADRB3ADRB2ADRB1NAMPTTBXAS1
SCHEMBL4617818 0.80 SFRP1 (0.58) NAMPTTBXAS1
SCHEMBL4617064 0.77 SFRP1 (0.61) ALDH1A1L3MBTL1
SCHEMBL6102667 0.76 CA1 (0.47) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN claimed
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
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed
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 ADRB3 4511/4885ADRB2 4622/4885ADRB1 4182/4885

“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.