SCHEMBL1925706

SCHEMBL1925706

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MMP13 P45452 2/20 0.34
KEAP1 Q14145 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFE2L2 Q16236 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
BMP1 P13497 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 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
SCHEMBL2024956 0.91 NPSR1 (0.35) NPSR1MMP13CTSLCTSBCTSS
SCHEMBL1926031 0.87 PDK2 (0.34) NPSR1MMP13CTSLCTSBCTSS
SCHEMBL1951926 0.85 NPSR1 (0.35) NPSR1MMP13KEAP1SMN1; SMN2NFE2L2
SCHEMBL1949385 0.85 NPSR1 (0.36) NPSR1MMP13CA12CA1CA7
SCHEMBL1925338 0.84 NPSR1 (0.34) NPSR1MMP13BMP1HSD11B1
SCHEMBL12546946 0.84 PDK2 (0.36) NPSR1MMP13MAPK1BMP1HSD11B1
SCHEMBL1925106 0.83 NR1D1 (0.32) NPSR1MMP13CTSLCTSBCTSS
SCHEMBL1948932 0.82 NPSR1 (0.35) NPSR1MMP13CA12CA1CA7
SCHEMBL12547032 0.82 NPSR1 (0.36) NPSR1MMP13CA12CA1CA7
SCHEMBL1952111 0.81 MEN1 (0.38) NPSR1MMP13CA12CA1CA7

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 6 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-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2016-02-18 US disclosed
US-20140235636-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-08-21 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 NPSR1 309/4885MMP13 2000/4885KEAP1 202/4885
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 NPSR1 281/4885MMP13 1988/4885KEAP1 207/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 NPSR1 309/4885MMP13 2000/4885KEAP1 202/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 NPSR1 309/4885MMP13 2000/4885KEAP1 202/4885

“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.