SCHEMBL3483343

SCHEMBL3483343

O=C(CBr)Nc1ccc2sc(S(=O)(=O)NCP(=O)(O)O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
ALDH1A1 P00352 3/20 0.36
CA2 P00918 5/20 0.36
MAPT P10636 2/20 0.36
FBP1 P09467 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 2/20 0.34
LMNA P02545 2/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14931228 0.89 CA2 (0.46) HDAC1CA2CA1
SCHEMBL3480329 0.81 TOP1 (0.47) HDAC1CA2MAPTKMT2AMEN1
SCHEMBL3480060 0.80 TERT (0.49) HDAC1CA2KMT2AMEN1LMNA
SCHEMBL16667416 0.79 KCNH2 (0.33) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3480221 0.78 CA2 (0.41) HDAC1CA2FBP1
SCHEMBL3483648 0.77 CA1 (0.36) HDAC1ALDH1A1CA2MAPTKMT2A
SCHEMBL3483482 0.77 TERT (0.43) CA2
SCHEMBL16667417 0.77 PLA2G7 (0.33)
SCHEMBL3480316 0.76 HDAC1 (0.38) HDAC1CA2FBP1
SCHEMBL3484113 0.75 HDAC1 (0.36) HDAC1ALDH1A1CA2MAPTKMT2A

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
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 HDAC1 739/4885ALDH1A1 2190/4885CA2 440/4885

“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.