SCHEMBL4425255

SCHEMBL4425255

O=P(O)(CNS(=O)(=O)c1ccsc1)Oc1cccnc1Cl.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.35
CCR1 P32246 1/20 0.33
GLRA3 O75311 2/20 0.32
GLRB P48167 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
CCR4 P51679 1/20 0.31
EDNRA P25101 1/20 0.31
SCN9A Q15858 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
NPC1 O15118 1/20 0.31

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) EGFRGLRA3SCN9APTGS1PTGS2
SCHEMBL4425842 0.82 MEN1 (0.51) EGFRGLRA3GLRBGAASCN9A
SCHEMBL4422634 0.82 CYP2D6 (0.43) LMNANPC1
SCHEMBL4421005 0.81 EGFR (0.35) EGFRGLRA3GLRBGAALMNA
SCHEMBL4424427 0.80 L3MBTL1 (0.44) EGFRPTGS1PTGS2
SCHEMBL4434456 0.78 TBXAS1 (0.38) GAA
SCHEMBL4433510 0.78 TSHR (0.47) GAALMNA
SCHEMBL4426700 0.75 MAPT (0.46) GAALMNA
SCHEMBL4425868 0.73 PRKD3 (0.49) LMNA
SCHEMBL6908900 0.71 CYP2D6 (0.46) GAALMNANPC1

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 2347/4885CCR1 4391/4885GLRA3 3086/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY EGFR 2136/4885CCR1 4467/4885GLRA3 2976/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT EGFR 2064/4885CCR1 4425/4885GLRA3 2878/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS EGFR 1953/4885CCR1 4724/4885GLRA3 3797/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 EGFR 2347/4885CCR1 4391/4885GLRA3 3086/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY EGFR 2086/4885CCR1 4445/4885GLRA3 2966/4885

“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.