Methylphenylsulfone

Methylphenylsulfone

SCHEMBL13268482

CS(=O)(=O)c1ccccc1.O=C(O)ON[SH](=O)=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
Methylphenylsulfone SCHEMBL28390314 0.84 ALDH1A1 (0.38) PTGS2AKR1C3AKR1C2AKR1C1ALDH1A1
Methylphenylsulfone SCHEMBL28390752 0.84 HSD11B1 (0.40) PTGS2AKR1C3AKR1C2AKR1C1ALDH1A1
Methylphenylsulfone SCHEMBL28389024 0.78 ALDH1A1 (0.41) ALDH1A1GAA
Methylphenylsulfone SCHEMBL13268396 0.78 HPGD (0.44) ALDH1A1GAAHSD17B10
Methylphenylsulfone SCHEMBL17498119 0.77 KDM4E (0.50) PTGS2ALDH1A1HSD17B10
Methylphenylsulfone SCHEMBL28888116 0.76 MAPK1 (0.41) PTGS2ALDH1A1GAAHSD17B10
Methylphenylsulfone SCHEMBL17498177 0.75 KAT2B (0.40) PTGS2AKR1C3
Methylphenylsulfone SCHEMBL1332357 0.73 PTGS2 (0.62) PTGS2ALDH1A1HSD17B10ENPP2
Methylphenylsulfone SCHEMBL78253 0.73 PTGS2 (0.62) PTGS2ALDH1A1HSD17B10ENPP2
Methylphenylsulfone SCHEMBL25293256 0.72 PTGS2 (0.52) PTGS2AKR1C3AKR1C2AKR1C1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2018-02-22 US disclosed
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2016-02-18 US disclosed
EP-2509941-A2 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES The Johns Hopkins University (US) 2012-10-17 EP 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 (2 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-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 PTGS2 45/4885AKR1C3 346/4885AKR1C2 211/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 PTGS2 57/4885AKR1C3 380/4885AKR1C2 227/4885

“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.