SCHEMBL4421984

SCHEMBL4421984

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.53
▸ GLRA3 O75311 1/20 0.47
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ GLO1 Q04760 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38

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
SCHEMBL4425842 0.89 MEN1 (0.51) EGFRGLRA3SCN9AMEN1KMT2A
SCHEMBL4423074 0.86 GLRA3 (0.47) EGFRGLRA3PTGS2PTGS1ALDH1A1
SCHEMBL4424508 0.84 GLRA3 (0.64) EGFRGLRA3ALDH1A1HPGDL3MBTL1
SCHEMBL4425255 0.84 EGFR (0.35) EGFRGLRA3PTGS2PTGS1SCN9A
SCHEMBL4421005 0.84 EGFR (0.35) EGFRGLRA3ALDH1A1HPGDMEN1
SCHEMBL4424427 0.83 L3MBTL1 (0.44) EGFRPTGS2PTGS1ALDH1A1L3MBTL1
SCHEMBL4422634 0.80 CYP2D6 (0.43) ALDH1A1HPGDGLO1MMP2PKM
SCHEMBL4433510 0.78 TSHR (0.47) ALDH1A1MEN1KMT2A
SCHEMBL4431904 0.78 FFAR4 (0.53) PTGS2ALDH1A1L3MBTL1SCN9AMEN1
SCHEMBL4426700 0.78 MAPT (0.46) ALDH1A1MEN1KMT2A

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

Send feedback