SCHEMBL4426713

SCHEMBL4426713

O=P(O)(CNS(=O)(=O)c1ccc(Br)s1)Oc1cncc(Cl)c1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.39
MAPT P10636 4/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4433510 0.75 TSHR (0.47) HTTSMN1; SMN2LMNAGALR3RAB9A
SCHEMBL4427998 0.73 SMN1; SMN2 (0.55) HTTSMN1; SMN2LMNAGALR3RAB9A
SCHEMBL13885134 0.66 CYP2D6 (0.46) HTTSMN1; SMN2LMNARAB9AALDH1A1
Ammonia Solution, Strong SCHEMBL4425384 0.65 CYP2D6 (0.45) HTTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL4427603 0.63 TBXAS1 (0.45) SMN1; SMN2ALDH1A1MAPTGAA
Ammonia Solution, Strong SCHEMBL4431916 0.63 CYP2D6 (0.48) LMNARAB9AALDH1A1KMT2AMAPK1
SCHEMBL1163936 0.62 SMN1; SMN2 (0.66) HTTSMN1; SMN2LMNAGALR3RAB9A
SCHEMBL1163986 0.61 SMN1; SMN2 (0.57) HTTSMN1; SMN2LMNAGALR3RAB9A
SCHEMBL3158236 0.61 SMN1; SMN2 (0.58) HTTSMN1; SMN2LMNAGALR3RAB9A
SCHEMBL19334308 0.61 SMN1; SMN2 (0.68) HTTSMN1; SMN2LMNAGALR3RAB9A

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 15 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
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 HTT 4804/4885SMN1; SMN2 4705/4885LMNA 1497/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY HTT 4817/4885SMN1; SMN2 4722/4885LMNA 1548/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT HTT 4778/4885SMN1; SMN2 4759/4885LMNA 1570/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS HTT 4852/4885SMN1; SMN2 4202/4885LMNA 2784/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 HTT 4804/4885SMN1; SMN2 4705/4885LMNA 1497/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY HTT 4782/4885SMN1; SMN2 4721/4885LMNA 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.