SCHEMBL4425076

SCHEMBL4425076

CCOP(=O)(O)CNS(=O)(=O)c1scc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 5/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FPR2 P25090 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HDAC1 Q13547 1/20 0.31
KAT6A Q92794 1/20 0.31
POLB P06746 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
SCHEMBL4425067 0.81 MAPK1 (0.31) KDM4EHPGDLMNAALDH1A1POLB
SCHEMBL4425386 0.79 NR1I2 (0.38) KDM4EHPGDLMNANR1I2ALDH1A1
SCHEMBL4551956 0.73 CYP2C9 (0.54) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL8798918 0.71 MTNR1A (0.35) KDM4EALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL8800475 0.71 ATM (0.37) KDM4EHPGDLMNAALDH1A1MEN1
SCHEMBL4431015 0.67 ALDH1A1 (0.49) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7705152 0.67 ACP3 (0.35) MEN1KMT2A
SCHEMBL10467411 0.66 CA1 (0.42) KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL8973664 0.66 ATM (0.37) KDM4EHPGDLMNAALDH1A1MEN1
SCHEMBL1156731 0.66 PAX8 (0.38) KDM4EHPGDALDH1A1THRB

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 KDM4E 1857/4885HPGD 259/4885LMNA 1497/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY KDM4E 2098/4885HPGD 307/4885LMNA 1548/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT KDM4E 1669/4885HPGD 328/4885LMNA 1570/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS KDM4E 1831/4885HPGD 1380/4885LMNA 2784/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 KDM4E 1857/4885HPGD 259/4885LMNA 1497/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY KDM4E 1583/4885HPGD 346/4885LMNA 1273/4885

“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.