SCHEMBL4424508

SCHEMBL4424508

O=P(O)(CNS(=O)(=O)c1ccc(F)cc1)Oc1cccc2cccnc12.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 2/20 0.64
GLO1 Q04760 1/20 0.53
GLRB P48167 1/20 0.52
MMP2 P08253 3/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MMP9 P14780 2/20 0.43
ADAM17 P78536 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42

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 0.84 EGFR (0.53) GLRA3GLO1MMP2ALDH1A1MEN1
SCHEMBL4423074 0.84 GLRA3 (0.47) GLRA3GLO1MMP2ALDH1A1HSP90AA1
SCHEMBL4431904 0.76 FFAR4 (0.53) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL4425842 0.74 MEN1 (0.51) GLRA3GLRBMMP2GAAMEN1
SCHEMBL7261599 0.71 MAPT (0.54) MMP2ALDH1A1HSP90AA1MEN1RAB9A
SCHEMBL4461219 0.71 SRC (0.57) MMP2ALDH1A1HSP90AA1MEN1RAB9A
SCHEMBL6523240 0.71 GLRA3 (0.47) GLRA3GLO1GLRBMMP2ALDH1A1
SCHEMBL28581571 0.71 METAP2 (0.78) GLRA3GLO1GLRBMMP2ALDH1A1
SCHEMBL9447001 0.70 GLO1 (0.75) GLRA3GLO1MMP2ALDH1A1HSP90AA1
SCHEMBL4432342 0.70 PKM (0.58) ALDH1A1MEN1KMT2ANPC1MAPT

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 GLRA3 3086/4885GLO1 151/4885GLRB 588/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY GLRA3 2976/4885GLO1 161/4885GLRB 608/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT GLRA3 2878/4885GLO1 117/4885GLRB 537/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS GLRA3 3797/4885GLO1 568/4885GLRB 1353/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 GLRA3 3086/4885GLO1 151/4885GLRB 588/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY GLRA3 2966/4885GLO1 144/4885GLRB 604/4885

“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.