SCHEMBL3483790

SCHEMBL3483790

O=P(O)(O)CNS(=O)(=O)c1cc2cc(OCCCCl)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.38
HRAS P01112 1/20 0.33
KRAS P01116 1/20 0.33
TPSAB1 Q15661 1/20 0.32
TBXAS1 P24557 1/20 0.32
CA1 P00915 2/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CA4 P22748 1/20 0.32
FBP1 P09467 1/20 0.31
HDAC1 Q13547 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 0.96 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3483211 0.89 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3483784 0.88 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3483684 0.88 CA2 (0.43) CA2HRASKRASTPSAB1CA1
SCHEMBL3483644 0.86 KDM4E (0.42) CA2
SCHEMBL16667285 0.85 CA2 (0.36) CA2HRASKRASTBXAS1CA1
SCHEMBL3483611 0.85 CA2 (0.36) CA2TPSAB1CA1MMP2MMP9
SCHEMBL3480166 0.84 INPPL1 (0.30)
SCHEMBL16667185 0.83 CHRNA7 (0.37) CA2HRASKRASTBXAS1CA1
SCHEMBL3483924 0.83 CA2 (0.35) CA2TPSAB1CA1CA4

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 4 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-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 440/4885HRAS 2352/4885KRAS 829/4885

“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.