SCHEMBL3483436

SCHEMBL3483436

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 14)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.33
PFKFB4 Q16877 4/20 0.33
HTR6 P50406 6/20 0.32
CMA1 P23946 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 6/20 0.31
HTR7 P34969 6/20 0.31
DRD2 P14416 5/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL3483443 1.00 PFKFB3 (0.33) PFKFB3PFKFB4HTR6CMA1NPSR1
Hydrochloric Acid SCHEMBL3483805 0.99 PFKFB3 (0.32) PFKFB3PFKFB4HTR6CMA1NPSR1
Hydrochloric Acid SCHEMBL3483803 0.99 PFKFB3 (0.32) PFKFB3PFKFB4HTR6CMA1NPSR1
SCHEMBL3483432 0.92 CMA1 (0.34) PFKFB3PFKFB4HTR6CMA1NPSR1
SCHEMBL3483422 0.88 PFKFB3 (0.32) PFKFB3PFKFB4HTR6HTR2AHTR7
SCHEMBL3483808 0.88 HTR2A (0.32) PFKFB3PFKFB4HTR6CMA1HTR2A
Hydrochloric Acid SCHEMBL3483529 0.87 PFKFB3 (0.31) PFKFB3PFKFB4
Hydrochloric Acid SCHEMBL3483596 0.87 HTR2A (0.32) PFKFB3PFKFB4HTR6CMA1HTR2A
SCHEMBL14931322 0.79 PFKFB4 (0.31) PFKFB3PFKFB4
Hydrochloric Acid SCHEMBL14931258 0.79 PFKFB4 (0.31) PFKFB3PFKFB4

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 PFKFB3 725/4885PFKFB4 577/4885HTR6 4072/4885

“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.