SCHEMBL4423285

SCHEMBL4423285

NOP(=O)(Oc1cccnc1Cl)C(NS(=O)(=O)c1cccs1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFKBIA P25963 1/20 0.35
RELA Q04206 1/20 0.35
GLO1 Q04760 1/20 0.35
TP53 P04637 3/20 0.35
BACE1 P56817 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34

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 SCHEMBL4423287 0.86 RECQL (0.38) KDM4ERECQLALDH1A1MAPTSLC1A3
SCHEMBL4432292 0.84 MAPT (0.40) KDM4EALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL4433532 0.84 POLB (0.38) KDM4EALDH1A1MAPTSLC1A3SLC1A2
Ammonia Solution, Strong SCHEMBL4432295 0.74 MAPT (0.42) KDM4EALDH1A1MAPTUSP2CYP1A2
SCHEMBL6908900 0.73 CYP2D6 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL4433535 0.73 POLB (0.40) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4422634 0.71 CYP2D6 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6526208 0.70 CYP2D6 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL4430999 0.61 CA2 (0.41) RECQLALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL7063719 0.60 TP53 (0.49) RECQLALDH1A1MAPTSLC1A3SLC1A2

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 1857/4885RECQL 1737/4885ALDH1A1 1276/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY KDM4E 2098/4885RECQL 1826/4885ALDH1A1 1038/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT KDM4E 1669/4885RECQL 1917/4885ALDH1A1 1276/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS KDM4E 1831/4885RECQL 1967/4885ALDH1A1 2218/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 KDM4E 1857/4885RECQL 1737/4885ALDH1A1 1276/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY KDM4E 1583/4885RECQL 1744/4885ALDH1A1 1007/4885

“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.