SCHEMBL3483516

SCHEMBL3483516

O=P(O)(O)CNS(=O)(=O)c1cc2cc(CN3CCOCC3)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.65
F10 P00742 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL13031949 0.80 CA2 (0.49) CA2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3480061 0.80 CA2 (0.98) CA2
SCHEMBL3484146 0.76 CA2 (0.49) CA2F10NPC1RAB9AKMT2A
SCHEMBL3480316 0.75 HDAC1 (0.38) CA2F10
SCHEMBL3483888 0.75 CA2 (0.54) CA2NPC1RAB9AKMT2AMAPK1
SCHEMBL3480221 0.75 CA2 (0.41) CA2
SCHEMBL14161367 0.75 CA2 (0.49) CA2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14931228 0.70 CA2 (0.46) CA2
SCHEMBL3483343 0.70 HDAC1 (0.40) CA2NPC1RAB9AKMT2AMAPK1
SCHEMBL3483211 0.69 CA2 (0.38) CA2

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 4 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 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 CA2 440/4885F10 3167/4885NPC1 2466/4885

“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.