SCHEMBL4423074

SCHEMBL4423074

O=P(O)(CNS(=O)(=O)c1ccc(F)cc1)Oc1cccnc1Br.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.47
▸ EGFR P00533 1/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ GLO1 Q04760 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MMP2 P08253 3/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6523240 0.86 GLRA3 (0.47) GLRA3EGFRPTGS2PTGS1GLO1
SCHEMBL4421984 0.86 EGFR (0.53) GLRA3EGFRPTGS2PTGS1GLO1
SCHEMBL4424508 0.84 GLRA3 (0.64) GLRA3EGFRGLO1MEN1KMT2A
SCHEMBL4431904 0.78 FFAR4 (0.53) PTGS2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4425842 0.76 MEN1 (0.51) GLRA3EGFRMEN1KMT2AMMP2
SCHEMBL6904614 0.71 ALDH1A1 (0.56) EGFRMEN1KMT2AMMP2MMP9
SCHEMBL4421005 0.70 EGFR (0.35) GLRA3EGFRMEN1KMT2AALDH1A1
SCHEMBL4425255 0.70 EGFR (0.35) GLRA3EGFRPTGS2PTGS1
SCHEMBL4431015 0.70 ALDH1A1 (0.49) MEN1KMT2AMMP2MMP9MEP1B
SCHEMBL4427284 0.70 GAA (0.50) MEN1KMT2AMMP2MMP9ALDH1A1

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 15 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-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 3086/4885EGFR 2347/4885PTGS2 721/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY GLRA3 2976/4885EGFR 2136/4885PTGS2 782/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT GLRA3 2878/4885EGFR 2064/4885PTGS2 588/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS GLRA3 3797/4885EGFR 1953/4885PTGS2 1852/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 GLRA3 3086/4885EGFR 2347/4885PTGS2 721/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY GLRA3 2966/4885EGFR 2086/4885PTGS2 668/4885

“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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