SCHEMBL1948893

SCHEMBL1948893

CCCC(=O)ON(C(=O)O)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
RECQL P46063 1/20 0.37
PLCG1 P19174 1/20 0.37
C1R P00736 1/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 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
SCHEMBL1948946 0.85 BMP1 (0.38) KMT2ATDP1ALDH1A1MEN1POLB
SCHEMBL1926173 0.84 L3MBTL1 (0.46) L3MBTL1KMT2ATDP1KDM4EALDH1A1
SCHEMBL1925919 0.82 L3MBTL1 (0.48) L3MBTL1KMT2ATDP1MEN1POLB
SCHEMBL1927510 0.74 BMP1 (0.37) L3MBTL1TDP1ALDH1A1
SCHEMBL1948803 0.73 TDP1 (0.45) L3MBTL1KMT2ATDP1ALDH1A1MEN1
SCHEMBL1925989 0.73 BMP1 (0.36) TDP1
SCHEMBL1927772 0.72 NPSR1 (0.53) L3MBTL1KMT2ATDP1MEN1POLB
SCHEMBL1950196 0.72 KMT2A (0.51) L3MBTL1KMT2ATDP1MEN1POLB
SCHEMBL1948892 0.71 L3MBTL1 (0.43) L3MBTL1KMT2ATDP1ALDH1A1MEN1
SCHEMBL1948733 0.71 BMP1 (0.42) KMT2ATDP1

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 7 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
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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 (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 L3MBTL1 844/4885KMT2A 580/4885TDP1 1834/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 L3MBTL1 844/4885KMT2A 580/4885TDP1 1834/4885

“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.