SCHEMBL4424378

SCHEMBL4424378

O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2cccc3cnccc23)cc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.55
PRKD3 O94806 3/20 0.48
PRKCG P05129 3/20 0.48
PRKCB P05771 3/20 0.48
PRKCA P17252 3/20 0.48
PRKCH P24723 3/20 0.48
PRKCI P41743 3/20 0.48
PRKCE Q02156 3/20 0.48
PRKCQ Q04759 3/20 0.48
PRKCZ Q05513 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKD1 Q15139 3/20 0.48
PRKACA P17612 3/20 0.48
PRKACG P22612 3/20 0.48
PRKACB P22694 3/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
NFKB1 P19838 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL4424374 0.88 CA1 (0.44) P2RX7MEN1CYP3A4KMT2A
SCHEMBL4424377 0.86 CA2 (0.44) P2RX7MEN1CYP3A4KMT2ALMNA
SCHEMBL4432342 0.83 PKM (0.58) MEN1KMT2ATP53SMN1; SMN2
SCHEMBL4427316 0.81 MEN1 (0.48) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL4420586 0.79 CA1 (0.48) MEN1KMT2ALMNA
SCHEMBL6380631 0.78 CA2 (0.46) MEN1CYP3A4CYP2D6KMT2ALMNA
SCHEMBL4553091 0.77 TYMS (0.47) HIF1A
SCHEMBL4420572 0.77 CA2 (0.55) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL4431500 0.77 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL4420587 0.77 CA1 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPK1

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 P2RX7 4185/4885PRKD3 2730/4885PRKCG 793/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY P2RX7 4302/4885PRKD3 2794/4885PRKCG 942/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT P2RX7 3919/4885PRKD3 2789/4885PRKCG 646/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS P2RX7 3721/4885PRKD3 1395/4885PRKCG 791/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 P2RX7 4185/4885PRKD3 2730/4885PRKCG 793/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY P2RX7 4063/4885PRKD3 3093/4885PRKCG 869/4885

“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.