SCHEMBL4433510

SCHEMBL4433510

O=P(O)(CNS(=O)(=O)c1ccc(Br)s1)Oc1cccnc1Cl.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 3/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NFKBIA P25963 1/20 0.41
RELA Q04206 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
MAPK1 P28482 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL4422634 0.83 CYP2D6 (0.43) TSHRALDH1A1LMNAHTTRAB9A
SCHEMBL4424427 0.79 L3MBTL1 (0.44) ALDH1A1SLC40A1
SCHEMBL4421984 0.78 EGFR (0.53) ALDH1A1KMT2AMEN1
SCHEMBL4425255 0.78 EGFR (0.35) GAALMNA
SCHEMBL4425842 0.77 MEN1 (0.51) GAAKMT2AMEN1
SCHEMBL4421005 0.76 EGFR (0.35) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4426713 0.75 HTT (0.42) TSHRGAAALDH1A1LMNASMN1; SMN2
SCHEMBL6908900 0.73 CYP2D6 (0.46) TSHRGAAALDH1A1LMNAHTT
SCHEMBL4427998 0.73 SMN1; SMN2 (0.55) TSHRGAAALDH1A1LMNASMN1; SMN2
SCHEMBL4425868 0.72 PRKD3 (0.49) LMNASMN1; SMN2KMT2AMEN1MAPK1

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 TSHR 4509/4885GAA 6/4885ALDH1A1 1276/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY TSHR 4357/4885GAA 4/4885ALDH1A1 1038/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT TSHR 4568/4885GAA 7/4885ALDH1A1 1276/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS TSHR 4379/4885GAA 23/4885ALDH1A1 2218/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 TSHR 4509/4885GAA 6/4885ALDH1A1 1276/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY TSHR 4465/4885GAA 7/4885ALDH1A1 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.