SCHEMBL4427316

SCHEMBL4427316

O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2cccnc2)cc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPT P10636 6/20 0.45
TBXAS1 P24557 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6382392 0.88 ALDH1A1 (0.52) MEN1KMT2APOLBCA1CA2
SCHEMBL4420572 0.87 CA2 (0.55) MEN1KMT2ACA1CA2CES2
SCHEMBL3213558 0.86 ALDH1A1 (0.53) MEN1KMT2APOLBCA1CA2
SCHEMBL4427603 0.84 TBXAS1 (0.45) MAPTTBXAS1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4430960 0.82 CA2 (0.50) MEN1KMT2APOLBCA1CA2
SCHEMBL4431500 0.82 MEN1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL4419753 0.82 FLT1 (0.52) MEN1KMT2ACA1CA2CES2
SCHEMBL4422627 0.82 KMT2A (0.58) MEN1KMT2ACA1CA2CES2
SCHEMBL4427321 0.82 GAA (0.56) MEN1KMT2APOLBCA1CA2
SCHEMBL4427284 0.82 GAA (0.50) MEN1KMT2ACA1CA2CES2

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 16 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
WO-2004048393-A2 NOVEL INHIBITORS OF β-LACTAMASE METHYLGENE, INC. (CA) 2004-06-10 WO 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
EP-1194436-A1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE Methylgene, Inc. (CA) 2002-04-10 EP disclosed
WO-2001002411-A1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF β-LACTAMASE METHYLGENE INC. (CA) 2001-01-11 WO 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 MEN1 3908/4885KMT2A 2212/4885POLB 371/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY MEN1 3687/4885KMT2A 2219/4885POLB 448/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT MEN1 4087/4885KMT2A 1953/4885POLB 376/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS MEN1 4283/4885KMT2A 1609/4885POLB 382/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 MEN1 3908/4885KMT2A 2212/4885POLB 371/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY MEN1 3853/4885KMT2A 1748/4885POLB 434/4885

“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.