SCHEMBL1949579

SCHEMBL1949579

CC(C)(C)OC(=O)NC1COCCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CTSK P43235 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ HCRTR2 O43614 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL25267951 0.80 HCRTR2 (0.40) BTKGAAUSP2SMN1; SMN2HCRTR2
SCHEMBL16058395 0.80 HCRTR2 (0.40) BTKGAAUSP2SMN1; SMN2HCRTR2
SCHEMBL1926477 0.78 BTK (0.40) BTKGAACTSKUSP2SMN1; SMN2
SCHEMBL2025019 0.78 BTK (0.50) BTKGAACTSKSMN1; SMN2NFKB1
SCHEMBL8484888 0.77 BTK (0.49) BTKGAACTSKSMN1; SMN2NFKB1
SCHEMBL2028383 0.74 BTK (0.40) BTKGAACTSKNFKB1NFKB2
SCHEMBL31133263 0.71 CTSK (0.41) GAACTSKUSP2SMN1; SMN2CA1
SCHEMBL28204441 0.71 SMN1; SMN2 (0.43) USP2SMN1; SMN2RECQL
SCHEMBL10102987 0.71 CTSK (0.46) BTKGAACTSKUSP2SMN1; SMN2
SCHEMBL29066432 0.71 CTSK (0.46) BTKGAACTSKUSP2SMN1; 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 9 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
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 BTK 2359/4885GAA 3198/4885CTSK 2744/4885
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 BTK 2814/4885GAA 3076/4885CTSK 4049/4885
US-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 BTK 2352/4885GAA 3381/4885CTSK 2797/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 BTK 2359/4885GAA 3198/4885CTSK 2744/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 BTK 2359/4885GAA 3198/4885CTSK 2744/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 BTK 2814/4885GAA 3076/4885CTSK 4049/4885

“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.

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