SCHEMBL3480263

SCHEMBL3480263

O=P(O)(O)CNS(=O)(=O)c1ccc(-c2ccc(OCCCCl)c(OCCCCl)c2)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
MMP13 P45452 2/20 0.32
TP53 P04637 1/20 0.32
P2RY14 Q15391 6/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
FDPS P14324 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL16667405 0.91 P2RY14 (0.38) MAPTMMP13TP53P2RY14MMP2
SCHEMBL3480579 0.86 MAPT (0.34) MAPTMMP13TP53MMP2MMP9
SCHEMBL3480413 0.83 MAP3K5 (0.35) MAPTTP53FDPS
SCHEMBL3480501 0.82 MAPT (0.48) MAPTMMP13TP53MMP2MMP9
SCHEMBL3480581 0.82 S1PR1 (0.34) MMP13MMP2MMP9S1PR4S1PR1
SCHEMBL3920516 0.82 CNR2 (0.36) TP53P2RY14
SCHEMBL3483960 0.81 MMP13 (0.37) MMP13MMP2MMP9
SCHEMBL3480383 0.80 MAP3K5 (0.32) MAPT
SCHEMBL3480804 0.78 CA2 (0.41)
SCHEMBL3480489 0.77 SNCA (0.47) MAPTP2RY14

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 4576/4885MMP13 2065/4885TP53 4460/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS MAPT 3993/4885MMP13 1499/4885TP53 4583/4885

“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.