SCHEMBL7705155

SCHEMBL7705155

CN(CP(=O)(O)O)S(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
AKR1B1 P15121 1/20 0.40
SQLE Q14534 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
OPRM1 P35372 1/20 0.37
ALOX5 P09917 3/20 0.36
CYP1A2 P05177 2/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 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
SCHEMBL5596821 0.84 CA2 (0.46) CA2AKR1B1SQLEOPRM1CYP2A6
SCHEMBL6908930 0.80 CA2 (0.43) CA2AKR1B1HDAC1HDAC3HDAC2
SCHEMBL13885154 0.78 MAPT (0.41) CA2SQLECYP1A2LMNAALOX15
Ammonia Solution, Strong SCHEMBL6424832 0.77 MAPT (0.40) CA2SQLECYP1A2LMNAALOX15
SCHEMBL4790573 0.73 CA2 (0.54) CA2AKR1B1LMNARAB9ABCL2L1
SCHEMBL7127961 0.73 SMN1; SMN2 (0.59) LMNAGAARAB9A
SCHEMBL329294 0.72 CA2 (0.71) CA2AKR1B1HDAC1HDAC3HDAC4
SCHEMBL4421229 0.72 MAPT (0.40) CA2SQLELMNAALOX15RAB9A
SCHEMBL3872157 0.71 PPARG (0.45) CA2SQLEHDAC1HDAC3HDAC4
SCHEMBL19559025 0.71 CA2 (0.59) CA2AKR1B1HDAC1CYP2A6MGLL

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 8 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-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-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-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
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 (1 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-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 CA2 2716/4885AKR1B1 1143/4885SQLE 8/4885

“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.