Sugi Predict

Sugi Predict / Compounds / SCHEMBL1925201

SCHEMBL1925201

SCHEMBL1925201

CC(C)Cc1ccc(C(C)C(=O)ONS(=O)(=O)c2cccc(C(=O)OC(C)(C)C)c2S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.43
▸ CXCR1 P25024 4/20 0.41
▸ CXCR2 P25025 4/20 0.41
▸ PTGS1 P23219 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CHRM1 P11229 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ NR1I3 Q14994 1/20 0.36

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
SCHEMBL15965581 0.81 PTGS2 (0.51) PTGS2CXCR1CXCR2PTGS1PGR
SCHEMBL2022592 0.81 PTGS2 (0.51) PTGS2CXCR1CXCR2PTGS1PGR
SCHEMBL1951667 0.78 MMP13 (0.33) —
SCHEMBL1951093 0.78 MMP13 (0.33) —
SCHEMBL1926284 0.75 ALOX15 (0.33) —
SCHEMBL1927397 0.73 TP53 (0.38) —
SCHEMBL1950033 0.72 ADRA1A (0.31) —
SCHEMBL1926037 0.71 KDM4E (0.41) PTGS2PTGS1LMNAESR1CYP2C9
SCHEMBL1927900 0.71 CXCR1 (0.53) PTGS2CXCR1CXCR2PTGS1CHRM1
SCHEMBL19888389 0.68 ITGAV (0.41) PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 PTGS2 45/4885CXCR1 1781/4885CXCR2 1265/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 PTGS2 57/4885CXCR1 1878/4885CXCR2 1384/4885
US-20110144067-A1 N-Acyloxysulfonamide and N-Hydroxy-N-Acylsulfonamide Derivatives TNNI3, TNNT2, TNNC1 PTGS2 57/4885CXCR1 1878/4885CXCR2 1384/4885

“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.