SCHEMBL4425868

SCHEMBL4425868

O=P(O)(CNS(=O)(=O)c1cccc2cnccc12)Oc1cccnc1Cl.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.49
PRKCG P05129 3/20 0.49
PRKCB P05771 3/20 0.49
PRKCA P17252 3/20 0.49
PRKCH P24723 3/20 0.49
PRKCI P41743 3/20 0.49
PRKCE Q02156 3/20 0.49
PRKCQ Q04759 3/20 0.49
PRKCZ Q05513 3/20 0.49
PRKCD Q05655 3/20 0.49
PRKD1 Q15139 3/20 0.49
PRKACA P17612 3/20 0.49
PRKACG P22612 3/20 0.49
PRKACB P22694 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
NFKB1 P19838 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL4424378 0.76 P2RX7 (0.55) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4424427 0.76 L3MBTL1 (0.44)
SCHEMBL4421984 0.75 EGFR (0.53) MEN1KMT2A
SCHEMBL4425842 0.74 MEN1 (0.51) MEN1KMT2A
SCHEMBL4422634 0.74 CYP2D6 (0.43) CYP3A4CYP2D6TP53LMNA
SCHEMBL4421005 0.73 EGFR (0.35) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4425255 0.73 EGFR (0.35) LMNA
SCHEMBL4433510 0.72 TSHR (0.47) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL9541290 0.71 PRKCG (0.86) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7312125 0.70 PRKACA (0.78) PRKD3PRKCGPRKCBPRKCAPRKCH

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 PRKD3 2730/4885PRKCG 793/4885PRKCB 751/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY PRKD3 2794/4885PRKCG 942/4885PRKCB 974/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT PRKD3 2789/4885PRKCG 646/4885PRKCB 622/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS PRKD3 1395/4885PRKCG 791/4885PRKCB 513/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 PRKD3 2730/4885PRKCG 793/4885PRKCB 751/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY PRKD3 3093/4885PRKCG 869/4885PRKCB 924/4885

“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.