SCHEMBL1948599

SCHEMBL1948599

CC(=O)ON(C(C)=O)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
ALOX15 P16050 1/20 0.71
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
IDO1 P14902 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL13039178 0.83 KMT2A (0.71) KMT2AMEN1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL1947890 0.83 MEN1 (1.00) KMT2AMEN1ALOX15ALDH1A1CA2
SCHEMBL1951537 0.75 KMT2A (0.53) KMT2AMEN1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL1950196 0.74 KMT2A (0.51) KMT2AMEN1ALOX15CA2CA1
SCHEMBL1643247 0.72 MEN1 (0.79) KMT2AMEN1ALOX15KEAP1NFE2L2
SCHEMBL1951798 0.69 KMT2A (0.53) KMT2AMEN1ALOX15KEAP1ALDH1A1
SCHEMBL1947913 0.69 MEN1 (0.60) KMT2AMEN1ALOX15PRSS1
SCHEMBL4008120 0.68 KEAP1 (0.49) KMT2AMEN1KEAP1NFE2L2ALDH1A1
SCHEMBL21820760 0.68 PLCG1 (0.39) KMT2AMEN1ALOX15KEAP1NFE2L2
SCHEMBL1948848 0.68 MEN1 (0.59) KMT2AMEN1ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US claimed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US claimed
EP-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP claimed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO claimed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 US claimed

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-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 KMT2A 580/4885MEN1 3253/4885ALOX15 545/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 KMT2A 580/4885MEN1 3253/4885ALOX15 545/4885

“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.