SCHEMBL3480640

SCHEMBL3480640

O=P(O)(O)CNSc1nc2cc(OCCCl)c(OCCCl)cc2s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.33
TP53 P04637 5/20 0.33
LMNA P02545 3/20 0.33
PDE4B Q07343 1/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
PPARA Q07869 3/20 0.32
RXFP1 Q9HBX9 2/20 0.31
STING1 Q86WV6 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
SCHEMBL3480414 0.95 MAPT (0.33) MAPTTP53LMNAPDE4BCASP3
SCHEMBL3480849 0.76 CA2 (0.36) LMNAPDE4BSTING1
SCHEMBL3483916 0.72 CA2 (0.36) LMNAPDE4BSTING1
SCHEMBL3480328 0.68 CYP3A4 (0.46) MAPTTP53LMNA
SCHEMBL3480101 0.68 STING1 (0.31) STING1
SCHEMBL9297465 0.68 SMN1; SMN2 (0.52) MAPTTP53LMNAPDE4B
SCHEMBL14931214 0.67 INPPL1 (0.30)
SCHEMBL3480792 0.65 CA2 (0.40) LMNASTING1
SCHEMBL3480796 0.62 CYP3A4 (0.46) MAPTTP53LMNA
SCHEMBL3480200 0.62 STING1 (0.31) PDE4BSTING1

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 8 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 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
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO 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 (2 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 MAPT 4576/4885TP53 4460/4885LMNA 3547/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS MAPT 3993/4885TP53 4583/4885LMNA 1792/4885

“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.