SCHEMBL4432342

SCHEMBL4432342

O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2cccc3cccnc23)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
POLB P06746 1/20 0.49
NFKBIA P25963 3/20 0.48
RELA Q04206 3/20 0.48
PPARG P37231 1/20 0.46
KDR P35968 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MDM4 O15151 1/20 0.42
OPRK1 P41145 1/20 0.42
MDM2 Q00987 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42

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 0.84 CA1 (0.44) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4424378 0.83 P2RX7 (0.55) KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4424377 0.82 CA2 (0.44) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6386763 0.81 CA1 (0.45) POLBKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4420586 0.80 CA1 (0.48) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL6380631 0.79 CA2 (0.46) POLBKMT2AMEN1SMN1; SMN2HTT
SCHEMBL4427316 0.79 MEN1 (0.48) POLBKMT2AMEN1SMN1; SMN2HTT
SCHEMBL4420572 0.78 CA2 (0.55) PKMKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4420587 0.78 CA1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4431500 0.78 MEN1 (0.48) POLBKMT2AMEN1SMN1; SMN2ALDH1A1

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 PKM 3089/4885POLB 371/4885NFKBIA 71/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY PKM 3278/4885POLB 448/4885NFKBIA 120/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT PKM 3298/4885POLB 376/4885NFKBIA 68/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS PKM 1315/4885POLB 382/4885NFKBIA 644/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 PKM 3089/4885POLB 371/4885NFKBIA 71/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY PKM 3528/4885POLB 434/4885NFKBIA 78/4885

“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.