SCHEMBL3483433

SCHEMBL3483433

N#Cc1ccc(C(NS(=O)(=O)c2cc3cc(OCCN)c(OCCNC(=O)c4ccc(OCc5ccccc5)c(OCc5ccccc5)c4)cc3s2)P(=O)(O)O)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.34
MRGPRX4 Q96LA9 4/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
SCN9A Q15858 1/20 0.30
SPHK2 Q9NRA0 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
SCHEMBL3484109 1.00 BRD4 (0.34) BRD4MRGPRX4PDE4APDE4BPDE4C
SCHEMBL3483886 0.89 LIPC (0.31)
SCHEMBL3483794 0.89 LIPC (0.31)
Trifluoroacetic Acid SCHEMBL3480353 0.87 AR (0.31)
SCHEMBL3483247 0.86 AR (0.33)
Trifluoroacetic Acid SCHEMBL3480667 0.84 CACNA1B (0.34)
SCHEMBL3483788 0.83 POLB (0.31)
SCHEMBL3483412 0.83 AR (0.33)
Trifluoroacetic Acid SCHEMBL3484268 0.80 CACNA1B (0.31)
SCHEMBL3483911 0.78 TRPV4 (0.31)

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-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US claimed
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
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 BRD4 1852/4885MRGPRX4 4343/4885PDE4A 1350/4885

“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.