SCHEMBL17498152

SCHEMBL17498152

CC(=O)N1CCC(c2ccccc2S(C)(=O)=O)CC1.O=C(O)ON[SH](=O)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PDE10A Q9Y233 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
EPHX2 P34913 1/20 0.36
NSD2 O96028 1/20 0.36
THRA P10827 1/20 0.36
VDR P11473 1/20 0.36
THRB P10828 1/20 0.36

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 SCHEMBL13268482 0.69 PTGS2 (0.43) ALDH1A1
SCHEMBL23162797 0.69 HSD11B1 (0.48)
SCHEMBL1763470 0.68 SLC9A1 (0.67) SLC9A1KMT2AMEN1THRAVDR
SCHEMBL1924764 0.68 PER2 (0.41) SLC9A1ALDH1A1NSD2
SCHEMBL27392380 0.67 KDM4E (0.55) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL2781999 0.66 HCRTR2 (0.46) SLC9A1KMT2AMEN1
SCHEMBL13917718 0.66 MEN1 (0.72) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL6900543 0.66 EPHX2 (0.40) SLC9A1ALDH1A1KDM4EBRD4POLB
SCHEMBL10180103 0.66 PTGS2 (0.55) ALDH1A1
SCHEMBL1513450 0.66 KDM4E (0.56) SLC9A1ALDH1A1KDM4EBRD4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2016-02-18 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-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 SLC9A1 817/4885ALDH1A1 698/4885KDM4E 601/4885

“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.