Sugi Predict

Sugi Predict / Compounds / SCHEMBL1925708

SCHEMBL1925708

SCHEMBL1925708

CC(C)(C)OC(=O)c1cccc(S(=O)(=O)N[N+](C)(C)C(=O)[O-])c1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ STAT3 P40763 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ BCAT2 O15382 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ STS P08842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL1949370 0.82 STS (0.32) CA1CA2CA9CA12CA14
SCHEMBL1926037 0.72 KDM4E (0.41) CA1CA2CA9
SCHEMBL1951667 0.70 MMP13 (0.33) —
SCHEMBL1952013 0.70 BCAT2 (0.32) CA1CA2CA9CA12STAT3
SCHEMBL1950033 0.70 ADRA1A (0.31) STAT3ADRA1AADRA1B
SCHEMBL1951093 0.70 MMP13 (0.33) —
SCHEMBL1925365 0.70 ALOX15 (0.35) CA1CA2CA9CA12CA14
SCHEMBL1926284 0.68 ALOX15 (0.33) CA1CA2CA9CA12CA14
SCHEMBL30111657 0.64 TSHR (0.50) CA1CA2CA9CA5AADRA1A
SCHEMBL109178 0.64 TSHR (0.50) CA1CA2CA9CA5AADRA1A

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
EP-2509941-A2 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES The Johns Hopkins University (US) 2012-10-17 — — EP disclosed
WO-2011071951-A2 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 — — WO 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-20180050985-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, NOS2 CA1 1263/4885CA2 418/4885CA9 518/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 CA1 1354/4885CA2 425/4885CA9 505/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 CA1 1379/4885CA2 627/4885CA9 608/4885

“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.