SCHEMBL3483211

SCHEMBL3483211

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.38
HRAS P01112 1/20 0.33
KRAS P01116 1/20 0.33
TBXAS1 P24557 1/20 0.32
CA1 P00915 3/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CA4 P22748 1/20 0.32
FBP1 P09467 2/20 0.31
HDAC1 Q13547 1/20 0.31
INPPL1 O15357 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
SCHEMBL3483371 0.89 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3483790 0.89 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3483644 0.86 KDM4E (0.42) CA2
SCHEMBL16667285 0.85 CA2 (0.36) CA2HRASKRASTBXAS1CA1
SCHEMBL16667185 0.83 CHRNA7 (0.37) CA2HRASKRASTBXAS1CA1
SCHEMBL3483611 0.83 CA2 (0.36) CA2CA1MMP2MMP9MMP13
SCHEMBL3483784 0.81 CA2 (0.38) CA2HRASKRASTBXAS1CA1
SCHEMBL3484076 0.81 CA2 (0.33) CA2
SCHEMBL3483924 0.81 CA2 (0.35) CA2CA1CA4
SCHEMBL3483772 0.81 TRPV4 (0.36)

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP 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-2049510-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL FORM I Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2008012372-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL FORM I KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-01-31 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 440/4885HRAS 2352/4885KRAS 829/4885

“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.