Sugi Predict

Sugi Predict / Compounds / SCHEMBL1926037

SCHEMBL1926037

SCHEMBL1926037

CC(=O)Oc1ccccc1C(=O)ONS(=O)(=O)c1cccc(C(=O)OC(C)(C)C)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTGS2 P35354 6/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GGT1 P19440 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PGAM1 P18669 1/20 0.35
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL2026794 0.84 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL4731573 0.79 HSD17B10 (0.63) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL1950033 0.75 ADRA1A (0.31) —
SCHEMBL1951667 0.75 MMP13 (0.33) —
SCHEMBL1951093 0.75 MMP13 (0.33) —
SCHEMBL1927397 0.75 TP53 (0.38) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL1948782 0.73 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL1925365 0.73 ALOX15 (0.35) CA1CA2CA9ELANE
SCHEMBL1925708 0.72 CA1 (0.35) CA1CA2CA9
SCHEMBL1925201 0.71 PTGS2 (0.43) CYP2C9LMNAPTGS2ESR1PTGS1

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 4 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
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 KDM4E 621/4885HSD17B10 292/4885CYP1A2 2109/4885
US-20160046570-A1 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES TNNI3, TNNT2, TNNC1 KDM4E 601/4885HSD17B10 274/4885CYP1A2 2270/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 KDM4E 557/4885HSD17B10 266/4885CYP1A2 476/4885

“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.