SCHEMBL6900510

SCHEMBL6900510

CC(C)(C)OC(=O)NOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MGLL Q99685 2/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
HTR2A P28223 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ELANE P08246 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL1461897 0.84 ELANE (0.60) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL10014142 0.83 MAPT (0.46) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL18412616 0.82 MGLL (0.53) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL7308415 0.82 MGLL (0.53) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL15058771 0.81 PPARG (0.50) KMT2APKMPPARGPPARAALDH1A1
SCHEMBL18542634 0.81 MGLL (0.50) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL17513779 0.80 GAA (0.53) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL12529864 0.79 MGLL (0.54) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL16125276 0.79 HTR2A (0.47) GAAMGLLBCL9CTNNB1KMT2A
SCHEMBL7068808 0.78 BCL9 (0.56) GAAMGLLBCL9CTNNB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011071951-A2 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE 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 GAA 3198/4885MGLL 1692/4885BCL9 1369/4885
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 GAA 3076/4885MGLL 2042/4885BCL9 1178/4885
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 GAA 3381/4885MGLL 1798/4885BCL9 1404/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 GAA 3198/4885MGLL 1692/4885BCL9 1369/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 GAA 3198/4885MGLL 1692/4885BCL9 1369/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 GAA 3076/4885MGLL 2042/4885BCL9 1178/4885

“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.