Sugi Predict

Sugi Predict / Compounds / SCHEMBL1948932

SCHEMBL1948932

SCHEMBL1948932

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NR1D1 P20393 4/20 0.35
▸ GSTO1 P78417 1/20 0.33
▸ BMP1 P13497 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CASR P41180 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ STAT5B P51692 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ PTPRC P08575 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL1951926 0.96 NPSR1 (0.35) NPSR1NR1D1GSTO1BMP1CASR
SCHEMBL2024956 0.89 NPSR1 (0.35) NPSR1NR1D1GSTO1BMP1HSD11B1
SCHEMBL12567325 0.89 NPSR1 (0.34) NPSR1BMP1STAT5BTDP1
SCHEMBL12547032 0.88 NPSR1 (0.36) NPSR1BMP1HSD11B1MMP13CA12
SCHEMBL1925988 0.84 NPSR1 (0.35) NPSR1BMP1HSD11B1MMP13STAT5B
SCHEMBL1949385 0.84 NPSR1 (0.36) NPSR1BMP1HSD11B1MMP13CA12
SCHEMBL1926031 0.83 PDK2 (0.34) NPSR1NR1D1BMP1HSD11B1MMP13
SCHEMBL17498208 0.83 NPSR1 (0.35) NPSR1NR1D1GSTO1HSD11B1MMP13
SCHEMBL1925706 0.82 NPSR1 (0.37) NPSR1BMP1HSD11B1MMP13CA12
SCHEMBL1952111 0.82 MEN1 (0.38) NPSR1BMP1HSD11B1MMP13CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 — — US claimed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 — — US 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-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-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-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
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
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 NPSR1 309/4885NR1D1 2450/4885GSTO1 559/4885
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 NPSR1 1092/4885NR1D1 1841/4885GSTO1 711/4885
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 NPSR1 281/4885NR1D1 2400/4885GSTO1 507/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 NPSR1 309/4885NR1D1 2450/4885GSTO1 559/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 NPSR1 309/4885NR1D1 2450/4885GSTO1 559/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 NPSR1 1092/4885NR1D1 1841/4885GSTO1 711/4885

“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.