SCHEMBL4425071

SCHEMBL4425071

COP(=O)(CNS(=O)(=O)c1cc2ccccc2s1)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
TPSAB1 Q15661 1/20 0.46
CCR2 P41597 1/20 0.42
MCL1 Q07820 1/20 0.40
DRD2 P14416 4/20 0.40
HTR2A P28223 4/20 0.40
HTR7 P34969 4/20 0.40
HTR6 P50406 4/20 0.40
HDAC1 Q13547 2/20 0.40
GHSR Q92847 1/20 0.39
AKR1B1 P15121 1/20 0.37
KIT P10721 1/20 0.37
NPY5R Q15761 1/20 0.37
MMP13 P45452 1/20 0.37
F10 P00742 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
ADRB2 P07550 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC3 O15379 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
SCHEMBL13595014 0.79 CA2 (0.56) CA2TPSAB1CCR2MCL1DRD2
SCHEMBL5596821 0.75 CA2 (0.46) CA2TPSAB1CCR2AKR1B1TAS1R3
SCHEMBL1575937 0.74 CA2 (0.61) CA2TPSAB1CCR2MCL1DRD2
SCHEMBL4551954 0.73 CYP2D6 (0.58)
Hydrochloric Acid SCHEMBL6369828 0.72 TPSAB1 (0.61) CA2TPSAB1CCR2MCL1DRD2
SCHEMBL8798934 0.72 CA2 (0.51) CA2TPSAB1CCR2MCL1DRD2
Ammonia Solution, Strong SCHEMBL4421010 0.71 CA2 (0.41) CA2TPSAB1MCL1HDAC1NPY5R
SCHEMBL4425067 0.71 MAPK1 (0.31) CA2
SCHEMBL13290793 0.70 CA2 (0.61) CA2CCR2HDAC1GHSRAKR1B1
SCHEMBL16597959 0.70 CA2 (0.61) CA2TPSAB1CCR2MCL1DRD2

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 22 patents — showing the first 20. 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-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-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
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-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 CA2 2716/4885TPSAB1 58/4885CCR2 4018/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY CA2 2629/4885TPSAB1 67/4885CCR2 4106/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT CA2 2457/4885TPSAB1 57/4885CCR2 4076/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS CA2 2859/4885TPSAB1 379/4885CCR2 4247/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 CA2 2716/4885TPSAB1 58/4885CCR2 4018/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY CA2 2498/4885TPSAB1 67/4885CCR2 4007/4885

“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.