SCHEMBL1949476

SCHEMBL1949476

CC(C)(C)C(=O)ON(C(=O)O)S(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
BCAT2 O15382 1/20 0.37
BMP1 P13497 1/20 0.35
ELANE P08246 4/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ITGAV P06756 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1925443 0.85 KMT2A (0.41) HSD11B1BCAT2BMP1MEN1KMT2A
SCHEMBL1950523 0.85 HSD11B1 (0.36) HSD11B1BCAT2BMP1ELANEMEN1
SCHEMBL1950189 0.82 ITGAV (0.40) HSD11B1BCAT2BMP1CYP2C19KMT2A
SCHEMBL1948969 0.82 ALDH1A1 (0.39) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1952112 0.82 BMP1 (0.38) HSD11B1BCAT2BMP1SMN1; SMN2ITGAV
SCHEMBL1951634 0.81 MMP1 (0.31)
SCHEMBL1926036 0.81 HSD11B1 (0.40) HSD11B1BCAT2BMP1ELANEMEN1
SCHEMBL1927510 0.81 BMP1 (0.37) HSD11B1BCAT2BMP1ELANEITGAV
SCHEMBL1925989 0.80 BMP1 (0.36) HSD11B1BCAT2BMP1ITGAV
SCHEMBL1948946 0.79 BMP1 (0.38) BCAT2BMP1MEN1KMT2ASMN1; 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 12 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
EP-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP claimed
EP-2509941-B1 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES UNIV JOHNS HOPKINS (US) 2019-01-23 EP disclosed
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2018-02-22 US disclosed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2016-02-18 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
US-20140235636-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-16 US 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 (6 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-20140235636-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 HSD11B1 342/4885BCAT2 1590/4885BMP1 3652/4885
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 HSD11B1 323/4885BCAT2 564/4885BMP1 3173/4885
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 HSD11B1 358/4885BCAT2 1680/4885BMP1 3620/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 HSD11B1 342/4885BCAT2 1590/4885BMP1 3652/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 HSD11B1 342/4885BCAT2 1590/4885BMP1 3652/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 HSD11B1 323/4885BCAT2 564/4885BMP1 3173/4885

“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.