SCHEMBL4431904

SCHEMBL4431904

O=P(O)(CNS(=O)(=O)c1ccc(F)cc1)Oc1cccnc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.53
PTGS2 P35354 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TBXAS1 P24557 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
SCN9A Q15858 1/20 0.42
GAA P10253 1/20 0.41
IDO1 P14902 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
SCHEMBL4427603 0.89 TBXAS1 (0.45) FFAR4PTGS2TBXAS1ALDH1A1SCN9A
SCHEMBL4434456 0.82 TBXAS1 (0.38) FFAR4L3MBTL1TBXAS1ALDH1A1KDM4E
SCHEMBL4421984 0.78 EGFR (0.53) PTGS2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4423074 0.78 GLRA3 (0.47) PTGS2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4427316 0.76 MEN1 (0.48) MEN1KMT2AL3MBTL1TBXAS1ALDH1A1
SCHEMBL4424508 0.76 GLRA3 (0.64) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL4427284 0.75 GAA (0.50) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL6904614 0.72 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL4431015 0.71 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL6290759 0.71 MEN1 (0.74) MEN1KMT2ALMNAALDH1A1KDM4E

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 FFAR4 4420/4885PTGS2 721/4885MEN1 3908/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY FFAR4 4383/4885PTGS2 782/4885MEN1 3687/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT FFAR4 4298/4885PTGS2 588/4885MEN1 4087/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS FFAR4 3870/4885PTGS2 1852/4885MEN1 4283/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 FFAR4 4420/4885PTGS2 721/4885MEN1 3908/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY FFAR4 4254/4885PTGS2 668/4885MEN1 3853/4885

“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.