SCHEMBL4424427

SCHEMBL4424427

O=P(O)(CNS(=O)(=O)c1ccccn1)Oc1cccnc1Cl.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KAT6A Q92794 1/20 0.40
▸ GLO1 Q04760 3/20 0.36
▸ SLC40A1 Q9NP59 2/20 0.36
▸ EGFR P00533 4/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ LGALS8 O00214 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGER3 P43115 1/20 0.33

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
SCHEMBL6905652 0.88 L3MBTL1 (0.46) L3MBTL1KAT6AGLO1SLC40A1EGFR
SCHEMBL4425842 0.83 MEN1 (0.51) EGFRKDM4E
SCHEMBL4421984 0.83 EGFR (0.53) L3MBTL1GLO1EGFRPKMPTGS1
SCHEMBL4422634 0.81 CYP2D6 (0.43) GLO1KDM4EPKMALDH1A1
SCHEMBL4425255 0.80 EGFR (0.35) EGFRPTGS1PTGS2
SCHEMBL4421005 0.80 EGFR (0.35) EGFRALDH1A1
SCHEMBL4433510 0.79 TSHR (0.47) SLC40A1ALDH1A1
SCHEMBL4426700 0.77 MAPT (0.46) KDM4EALDH1A1
SCHEMBL4427092 0.77 L3MBTL1 (0.58) L3MBTL1KAT6AGLO1SLC40A1METAP2
SCHEMBL4425868 0.76 PRKD3 (0.49) —

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-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
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 L3MBTL1 1302/4885KAT6A 3840/4885GLO1 151/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY L3MBTL1 1385/4885KAT6A 3742/4885GLO1 161/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT L3MBTL1 1338/4885KAT6A 3660/4885GLO1 117/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS L3MBTL1 1328/4885KAT6A 2677/4885GLO1 568/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 L3MBTL1 1302/4885KAT6A 3840/4885GLO1 151/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY L3MBTL1 1305/4885KAT6A 3615/4885GLO1 144/4885

“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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