SCHEMBL4426700

SCHEMBL4426700

O=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)NCP(=O)(O)Oc2cccnc2Cl)c1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 2/20 0.44
PPIA P62937 3/20 0.43
ALOX12 P18054 1/20 0.43
KDR P35968 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
IDH2 P48735 1/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4426702 0.99 MAPT (0.47) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL4425842 0.80 MEN1 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL4421984 0.78 EGFR (0.53) MEN1KMT2AALDH1A1
SCHEMBL4424427 0.77 L3MBTL1 (0.44) KDM4EALDH1A1
SCHEMBL4425255 0.75 EGFR (0.35) LMNAGAA
SCHEMBL4421005 0.75 EGFR (0.35) LMNAMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4422634 0.72 CYP2D6 (0.43) LMNANPSR1HTTKDM4EALDH1A1
SCHEMBL4433510 0.71 TSHR (0.47) LMNAMEN1KMT2AMAPK1HTT
SCHEMBL4425868 0.70 PRKD3 (0.49) LMNAMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4424508 0.66 GLRA3 (0.64) MAPTMEN1KMT2AHTTSMN1; SMN2

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 MAPT 3410/4885LMNA 1497/4885MEN1 3908/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY MAPT 3535/4885LMNA 1548/4885MEN1 3687/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT MAPT 3445/4885LMNA 1570/4885MEN1 4087/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS MAPT 3423/4885LMNA 2784/4885MEN1 4283/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 MAPT 3410/4885LMNA 1497/4885MEN1 3908/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY MAPT 3363/4885LMNA 1273/4885MEN1 3853/4885

“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.