SCHEMBL3483924

SCHEMBL3483924

NCCCCN(CCCN)CCCOc1ccc2sc(S(=O)(=O)NCP(=O)(O)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.35
CA1 P00915 7/20 0.33
TPSAB1 Q15661 1/20 0.32
CA4 P22748 3/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
ATP4A P20648 2/20 0.30
ATP4B P51164 2/20 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
SCHEMBL3483611 0.98 CA2 (0.36) CA2CA1TPSAB1CA4ATP4A
Trifluoroacetic Acid SCHEMBL3483752 0.93 CA2 (0.39) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL3483985 0.91 CA2 (0.39) CA2CA1
SCHEMBL3483643 0.86 CA2 (0.35) CA2CA1TPSAB1ITGB3ITGA2B
SCHEMBL13032303 0.84 TRPV4 (0.34)
SCHEMBL3483790 0.83 CA2 (0.38) CA2CA1TPSAB1CA4
SCHEMBL3483644 0.82 KDM4E (0.42) CA2
SCHEMBL4210540 0.82 TRPV4 (0.35)
SCHEMBL3484076 0.81 CA2 (0.33) CA2
SCHEMBL14931330 0.81 TRPV4 (0.35)

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
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-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 440/4885CA1 3102/4885TPSAB1 171/4885

“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.