SCHEMBL1924577

SCHEMBL1924577

C[C@H](C(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Br)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.38
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
MMP13 P45452 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
RECQL P46063 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL1927383 1.00 NPSR1 (0.47) NPSR1KMT2AHSD11B1ATMPOLB
SCHEMBL1927386 0.88 NPSR1 (0.47) NPSR1KMT2AHSD11B1ATMPOLB
SCHEMBL1925514 0.86 NPSR1 (0.47) NPSR1KMT2AATMPOLBL3MBTL1
SCHEMBL1926172 0.82 NPSR1 (0.47) NPSR1KMT2AHSD11B1ATML3MBTL1
SCHEMBL1925500 0.81 NPSR1 (0.47) NPSR1KMT2AHSD11B1POLBL3MBTL1
SCHEMBL1925891 0.81 NPSR1 (0.49) NPSR1KMT2AHSD11B1ATML3MBTL1
SCHEMBL1925249 0.81 NPSR1 (0.47) NPSR1KMT2AHSD11B1ATMPOLB
SCHEMBL1925232 0.79 NPSR1 (0.46) NPSR1KMT2AHSD11B1POLBL3MBTL1
SCHEMBL1927772 0.78 NPSR1 (0.53) NPSR1KMT2APOLBL3MBTL1TDP1
SCHEMBL1926047 0.78 NPSR1 (0.40) NPSR1KMT2AHSD11B1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 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-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
EP-2509941-A2 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES The Johns Hopkins University (US) 2012-10-17 EP 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
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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 (3 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 NPSR1 1092/4885KMT2A 580/4885HSD11B1 323/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 NPSR1 309/4885KMT2A 1413/4885HSD11B1 342/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 NPSR1 1092/4885KMT2A 580/4885HSD11B1 323/4885

“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.