SCHEMBL4433532

SCHEMBL4433532

CC(C)C(NS(=O)(=O)c1cccs1)P(=O)(ON)Oc1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
NFKBIA P25963 1/20 0.35
RELA Q04206 1/20 0.35
GLO1 Q04760 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL4433535 0.85 POLB (0.40) POLBALDH1A1KDM4ENFKBIARELA
SCHEMBL4423285 0.84 KDM4E (0.38) POLBALDH1A1KDM4ENFKBIARELA
SCHEMBL4432292 0.81 MAPT (0.40) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL6908900 0.74 CYP2D6 (0.46) ALDH1A1KDM4ENFKBIARELAGLO1
SCHEMBL6383366 0.74 MEN1 (0.38) ALDH1A1CYP3A4MAPTLMNATP53
Ammonia Solution, Strong SCHEMBL4423287 0.73 RECQL (0.38) POLBALDH1A1KDM4ENFKBIARELA
SCHEMBL4422634 0.72 CYP2D6 (0.43) ALDH1A1KDM4ENFKBIARELAGLO1
Ammonia Solution, Strong SCHEMBL4432295 0.71 MAPT (0.42) POLBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6526208 0.71 CYP2D6 (0.42) ALDH1A1KDM4ENFKBIARELAGLO1
SCHEMBL7915450 0.63 CYP2D6 (0.56) ALDH1A1KDM4EMAPTCYP2C9CYP2C19

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 POLB 371/4885ALDH1A1 1276/4885KDM4E 1857/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY POLB 448/4885ALDH1A1 1038/4885KDM4E 2098/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT POLB 376/4885ALDH1A1 1276/4885KDM4E 1669/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS POLB 382/4885ALDH1A1 2218/4885KDM4E 1831/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 POLB 371/4885ALDH1A1 1276/4885KDM4E 1857/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY POLB 434/4885ALDH1A1 1007/4885KDM4E 1583/4885

“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.