SCHEMBL3483679

SCHEMBL3483679

O=P(O)(O)CNS(=O)(=O)c1cc2cc(CS(=O)(=O)CCC[n+]3ccccc3)ccc2s1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.35
TPSAB1 Q15661 1/20 0.34
HDAC1 Q13547 1/20 0.30

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
SCHEMBL3483950 0.93 CA2 (0.34) CA2TPSAB1
SCHEMBL3484145 0.84 CA2 (0.41) CA2TPSAB1
SCHEMBL13032349 0.82 TRPV4 (0.32)
SCHEMBL3942507 0.79 TRPV4 (0.32)
SCHEMBL16667185 0.78 CHRNA7 (0.37) CA2HDAC1
SCHEMBL3942969 0.78 TRPV4 (0.31)
SCHEMBL3484149 0.78 CA2 (0.40) CA2TPSAB1
SCHEMBL3483265 0.77
SCHEMBL16667188 0.71 CHRNA7 (0.35) CA2
SCHEMBL3480221 0.71 CA2 (0.41) CA2TPSAB1HDAC1

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
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
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

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 440/4885TPSAB1 171/4885HDAC1 739/4885

“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.