SCHEMBL4618044

SCHEMBL4618044

Cc1cc(C)c(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCC(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.50
ADRB2 P07550 4/20 0.50
ADRB1 P08588 4/20 0.50
TBXAS1 P24557 6/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4616343 0.89 SFRP1 (0.44) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL4615800 0.81 KMT2A (0.47) POLB
SCHEMBL4617541 0.81 L3MBTL1 (0.55) ADRB3ADRB2ADRB1TBXAS1ALDH1A1
SCHEMBL4618668 0.81 ADRB3 (0.48) ADRB3ADRB2ADRB1TBXAS1ALDH1A1
SCHEMBL4617909 0.78 SFRP1 (0.52) ADRB3ADRB2ADRB1TBXAS1
SCHEMBL4617064 0.77 SFRP1 (0.61) POLBALDH1A1HTTSMN1; SMN2
SCHEMBL4618568 0.73 L3MBTL1 (0.53) ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL2841159 0.73 ADRB2 (0.54) ADRB3ADRB2ADRB1TBXAS1ALDH1A1
SCHEMBL4618430 0.71 SFRP1 (0.54) ALDH1A1GAAHTT
SCHEMBL6102808 0.71 ALDH1A1 (0.46) POLBALDH1A1CYP2C9

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.