SCHEMBL4616634

SCHEMBL4616634

Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 4/20 0.48
PDE2A O00408 1/20 0.48
PDE5A O76074 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
PDE4A P27815 1/20 0.48
BLM P54132 1/20 0.48
PDE1B Q01064 1/20 0.48
PMP22 Q01453 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE1C Q14123 1/20 0.48
PDE7B Q9NP56 1/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4616743 0.85 CA2 (0.54) KMT2AMEN1ALDH1A1CYP3A4PDE2A
SCHEMBL29610581 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL1276094 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4PDE2APDE5AALOX15
Iodide SCHEMBL28544074 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL1219754 0.81 TDP1 (0.58) KMT2AMEN1ALDH1A1CYP3A4MAPT
SCHEMBL29426295 0.81 TDP1 (0.58) KMT2AMEN1ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL28246982 0.80 TDP1 (0.56) KMT2AMEN1ALDH1A1CYP3A4MAPT
SCHEMBL1970447 0.78 KMT2A (0.67) KMT2AMEN1ALDH1A1CYP3A4POLB
SCHEMBL11589518 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP3A4ALOX15
SCHEMBL526905 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4PDE2APDE5AALOX15

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 KMT2A 3832/4885MEN1 886/4885ALDH1A1 1865/4885

“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.