SCHEMBL3483648

SCHEMBL3483648

O=C(CN(CCNC(=O)c1ccc(O)c(O)c1)CCNC(=O)c1ccc(O)c(O)c1)Nc1ccc2sc(S(=O)(=O)NCP(=O)(O)O)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA4 P22748 3/20 0.36
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NSD2 O96028 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
TOP1 P11387 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL14161403 0.88 CA2 (0.43) CA1CA2CA4CA12CA9
SCHEMBL3483779 0.87 TMEM97 (0.41) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL3480329 0.85 TOP1 (0.47) CA2POLBKMT2AMEN1NSD2
SCHEMBL13032364 0.84 KCNQ3 (0.30)
SCHEMBL16684150 0.82 POLB (0.41) CA1CA2CA4POLBKMT2A
SCHEMBL3480605 0.80 TOP1 (0.35) POLBGAATOP1LMNAALDH1A1
SCHEMBL3483343 0.77 HDAC1 (0.40) CA1CA2KMT2AMEN1LMNA
SCHEMBL3480294 0.76 XDH (0.35) CA1CA2KMT2AMEN1TOP1
SCHEMBL14931228 0.75 CA2 (0.46) CA1CA2HDAC1
SCHEMBL3480325 0.74 XDH (0.39) CA1CA2ALDH1A1CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO claimed
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CA1 3102/4885CA2 440/4885CA4 1834/4885

“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.