SCHEMBL3480779

SCHEMBL3480779

O=C(NCCOc1c(OCCNC(=O)c2ccc(O)c(O)c2)c(Cl)c2sc(S(=O)(=O)NCP(=O)(O)O)cc2c1Cl)c1ccc(O)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14344957 0.86 CA2 (0.40) HPGDCA1CA2CA7CA9
SCHEMBL3480026 0.86 CA1 (0.32) CA1CA2CA7CA9CA14
SCHEMBL3480300 0.84 HPGD (0.33) HPGDCA1CA2RAB9AMEN1
SCHEMBL12979426 0.83 TRPV4 (0.33)
SCHEMBL12979831 0.82 AR (0.34) CA1CA2CA7CA9
SCHEMBL14931353 0.80
SCHEMBL16667240 0.79 PLAU (0.32)
SCHEMBL3480294 0.78 XDH (0.35) CA1CA2CA7CA9CA14
SCHEMBL3480325 0.74 XDH (0.39) CA1CA2CA7CA9CA14
SCHEMBL3480053 0.74 XDH (0.39) CA1CA2CA7CA9CA14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US claimed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP claimed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO claimed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 HPGD 2411/4885CA1 4284/4885CA2 2070/4885

“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.