SCHEMBL4553091

SCHEMBL4553091

CN(C)c1cccc2c(S(=O)(=O)NCP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.47
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
EDNRA P25101 5/20 0.43
GBA1 P04062 3/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL4424377 0.84 CA2 (0.44) CYP1A2CYP2C19CA1CA2CES2
SCHEMBL4424374 0.84 CA1 (0.44) GBA1F2CYP1A2CYP2C19CA1
SCHEMBL5606132 0.78 EDNRA (0.56) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4420587 0.78 CA1 (0.48) F2PRSS1PRSS2PRSS3TDP1
SCHEMBL4420586 0.78 CA1 (0.48) F2PRSS1PRSS2PRSS3HTT
SCHEMBL6380635 0.77 CA2 (0.46) CYP2C19HTTCA1CA2CES2
SCHEMBL6380631 0.77 CA2 (0.46) CYP2C19HTTCA1CA2CES2
SCHEMBL4424378 0.77 P2RX7 (0.55) HIF1A
SCHEMBL12083300 0.77 HDAC4 (0.61) TYMSHDAC4HDAC10HDAC6HDAC5
SCHEMBL4420572 0.76 CA2 (0.55) CA1CA2CES2CES1

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 6 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-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-20040082546-A1 Novel Inhibitors of beta-lactamase METHYLGENE, INC. 2004-04-29 US disclosed
US-20040029836-A1 Novel inhibitors of beta-lactamase 92229129 QUEBEC INC. (CA) 2004-02-12 US 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 (3 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-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY TYMS 1441/4885HDAC4 3361/4885HDAC10 2600/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 TYMS 1295/4885HDAC4 3300/4885HDAC10 3066/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY TYMS 1663/4885HDAC4 3278/4885HDAC10 2901/4885

“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.