SCHEMBL4430985

SCHEMBL4430985

CCOP(=O)(O)CN(C)S(=O)(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7127961 0.83 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4430978 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
Ammonia Solution, Strong SCHEMBL4419736 0.76 CA1 (0.44) ALDH1A1SMN1; SMN2HPGDRAB9ATSHR
SCHEMBL4551956 0.76 CYP2C9 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL12077803 0.75 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4425386 0.74 NR1I2 (0.38) ALDH1A1HPGDTSHRGAAL3MBTL1
SCHEMBL7212010 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6978499 0.69 RAB9A (0.43) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL27961616 0.69 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL7885963 0.68 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1

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 ALDH1A1 1276/4885SMN1; SMN2 4705/4885HPGD 259/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY ALDH1A1 1038/4885SMN1; SMN2 4722/4885HPGD 307/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT ALDH1A1 1276/4885SMN1; SMN2 4759/4885HPGD 328/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS ALDH1A1 2218/4885SMN1; SMN2 4202/4885HPGD 1380/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 ALDH1A1 1276/4885SMN1; SMN2 4705/4885HPGD 259/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY ALDH1A1 1007/4885SMN1; SMN2 4721/4885HPGD 346/4885

“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.