SCHEMBL3483432

SCHEMBL3483432

Cc1c(S(=O)(=O)NCP(=O)(O)O)sc2ccc(OCCC[N+]34CC[N+](CCCN)(CC3)CC4)cc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.34
PFKFB4 Q16877 8/20 0.33
PFKFB3 Q16875 7/20 0.33
HTR6 P50406 3/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR7 P34969 2/20 0.31
PLA2G2A P14555 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
SCHEMBL3483443 0.92 PFKFB3 (0.33) CMA1PFKFB4PFKFB3HTR6NPSR1
SCHEMBL3483436 0.92 PFKFB3 (0.33) CMA1PFKFB4PFKFB3HTR6NPSR1
Hydrochloric Acid SCHEMBL3483805 0.91 PFKFB3 (0.32) CMA1PFKFB4PFKFB3HTR6NPSR1
Hydrochloric Acid SCHEMBL3483803 0.91 PFKFB3 (0.32) CMA1PFKFB4PFKFB3HTR6NPSR1
SCHEMBL3484384 0.85 PFKFB4 (0.38) CMA1PFKFB4PFKFB3HTR6NPSR1
SCHEMBL3483847 0.83 CMA1 (0.41) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL3483422 0.82 PFKFB3 (0.32) PFKFB4PFKFB3HTR6DRD2HTR2A
Hydrochloric Acid SCHEMBL3483529 0.81 PFKFB3 (0.31) PFKFB4PFKFB3
SCHEMBL3483808 0.80 HTR2A (0.32) CMA1PFKFB4PFKFB3HTR6DRD2
Trifluoroacetic Acid SCHEMBL3483511 0.79 CA12 (0.37) CMA1PFKFB4PFKFB3PLA2G2A

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 3 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

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 CMA1 356/4885PFKFB4 577/4885PFKFB3 725/4885

“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.