SCHEMBL4425842

SCHEMBL4425842

O=P(O)(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)Oc1cccnc1Cl.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP1 P03956 2/20 0.42
MMP12 P39900 2/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 6/20 0.41
EGFR P00533 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MMP9 P14780 3/20 0.40
MMP14 P50281 2/20 0.40
ADAM17 P78536 2/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MEP1B Q16820 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
SCHEMBL4421984 0.89 EGFR (0.53) MEN1KMT2AMMP2EGFRMMP9
SCHEMBL4424427 0.83 L3MBTL1 (0.44) EGFRKDM4E
SCHEMBL4425255 0.82 EGFR (0.35) GAAEGFRGLRA3GLRBSCN9A
SCHEMBL4421005 0.82 EGFR (0.35) MEN1KMT2AGAAEGFRGLRA3
SCHEMBL4426700 0.80 MAPT (0.46) MEN1KMT2AGAACA12CA1
SCHEMBL4426702 0.79 MAPT (0.47) MEN1KMT2AGAACA12CA1
SCHEMBL4422634 0.78 CYP2D6 (0.43) MMP2KDM4E
SCHEMBL4433510 0.77 TSHR (0.47) MEN1KMT2AGAA
SCHEMBL4423074 0.76 GLRA3 (0.47) MEN1KMT2AMMP1MMP2EGFR
SCHEMBL4424508 0.74 GLRA3 (0.64) MEN1KMT2AGAAMMP2EGFR

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 2212/4885MMP1 361/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY MEN1 3687/4885KMT2A 2219/4885MMP1 414/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT MEN1 4087/4885KMT2A 1953/4885MMP1 373/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS MEN1 4283/4885KMT2A 1609/4885MMP1 1514/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 MEN1 3908/4885KMT2A 2212/4885MMP1 361/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY MEN1 3853/4885KMT2A 1748/4885MMP1 405/4885

“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.