SCHEMBL4424377

SCHEMBL4424377

O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2cccc3ccccc23)cc1.[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ RRM1 P23921 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ SLC6A9 P48067 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SCN1A P35498 2/20 0.40
▸ SCN2A Q99250 2/20 0.40
▸ SCN3A Q9NY46 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4424374 0.98 CA1 (0.44) CA2CA1CES2CES1MMP2
SCHEMBL4424378 0.86 P2RX7 (0.55) P2RX7MEN1KMT2ACYP3A4LMNA
SCHEMBL4420587 0.86 CA1 (0.48) CA2CA1CES2CES1MMP2
SCHEMBL6380635 0.85 CA2 (0.46) CA2CA1CES2CES1MMP2
SCHEMBL4431502 0.84 MEN1 (0.49) CA2CA1CES2CES1MMP2
SCHEMBL4553091 0.84 TYMS (0.47) CA2CA1CES2CES1CYP1A2
SCHEMBL4431500 0.84 MEN1 (0.48) CA2CA1CES2CES1MMP2
SCHEMBL4420586 0.84 CA1 (0.48) CA2CA1CES2CES1MMP2
SCHEMBL3213558 0.83 ALDH1A1 (0.53) CA2CA1CES2CES1MMP2
SCHEMBL6380631 0.83 CA2 (0.46) CA2CA1CES2CES1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 — — US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-20060105999-A1 Novel inhibitors of beta-lactamase METHYLGENE, INC. (CA) 2006-05-18 — — US disclosed
US-7030103-B2 Sulfonamidomethyl phosphonate inhibitors of β-lactamase METHYLGENE, INC. (CA) 2006-04-18 — — US disclosed
EP-1194436-B1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2005-11-30 — — EP disclosed
US-6921756-B2 Inhibitors of β-lactamase METHYLGENE, INC. (CA) 2005-07-26 — — US disclosed
US-6884791-B2 Inhibitors of β-lactamase METHYLGENE, INC. (CA) 2005-04-26 — — US disclosed
US-20050043276-A1 Novel inhibitors of beta-lactamase METHYLGENE, INC. (CA) 2005-02-24 — — US disclosed
US-20040082546-A1 Novel Inhibitors of beta-lactamase METHYLGENE, INC. 2004-04-29 — — US disclosed
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase 92229129 QUEBEC INC. (CA) 2004-03-25 — — US disclosed
US-20040029836-A1 Novel inhibitors of beta-lactamase 92229129 QUEBEC INC. (CA) 2004-02-12 — — US disclosed
US-6472406-B1 Sulfonamidomethyl phosphonate inhibitors of beta-lactamase METHYLGENE, INC. (CA) 2002-10-29 — — 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-20050043276-A1 Novel inhibitors of beta-lactamase MGAM, LSS, CYP51A1 CA2 2716/4885CA1 4384/4885CES2 174/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY CA2 2629/4885CA1 4178/4885CES2 176/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT CA2 2457/4885CA1 4321/4885CES2 178/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS CA2 2859/4885CA1 4176/4885CES2 324/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 CA2 2716/4885CA1 4384/4885CES2 174/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY CA2 2498/4885CA1 4194/4885CES2 156/4885

“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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