SCHEMBL3483784

SCHEMBL3483784

O=P(O)(CNS(=O)(=O)c1cc2cc(OCCCl)ccc2s1)OP(=O)(O)CNS(=O)(=O)c1cc2cc(OCCCl)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.38
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HRAS P01112 1/20 0.32
KRAS P01116 1/20 0.32
TBXAS1 P24557 1/20 0.32
CA1 P00915 3/20 0.31
CA4 P22748 1/20 0.31
F10 P00742 1/20 0.31
FBP1 P09467 1/20 0.31
HDAC1 Q13547 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL3483371 0.92 CA2 (0.38) CA2CLK1CLK2DYRK1ACLK4
SCHEMBL3483790 0.88 CA2 (0.38) CA2CLK1CLK2DYRK1ACLK4
SCHEMBL4215129 0.82 CA2 (0.39) CA2HRASKRASTBXAS1CA1
SCHEMBL14931498 0.82 TRPV4 (0.37)
SCHEMBL3483171 0.82
SCHEMBL3483211 0.81 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3483878 0.79 GAA (0.30) GHSR
SCHEMBL3483644 0.79 KDM4E (0.42) CA2
SCHEMBL3483684 0.78 CA2 (0.43) CA2HRASKRASCA1CA4
SCHEMBL14931181 0.78 TRPV4 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US 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 CA2 440/4885CLK1 685/4885CLK2 946/4885

“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.