SCHEMBL3483868

SCHEMBL3483868

CCC(CC)(N(C(=O)OC(C)(C)C)S(=O)(=O)c1cc2cc(C)ccc2s1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
CA2 P00918 7/20 0.35
FBP1 P09467 1/20 0.35
F10 P00742 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT3 P36888 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PTPN2 P17706 2/20 0.31
MMP13 P45452 1/20 0.31
CYP2A6 P11509 1/20 0.31
NR1D1 P20393 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
SCHEMBL3483946 0.87 CA2 (0.38) CA2PTPN2MMP13
SCHEMBL3480176 0.80 STING1 (0.33)
SCHEMBL3480885 0.79 STING1 (0.32)
SCHEMBL3483394 0.78 CA2 (0.37) CA2MMP13
SCHEMBL3483207 0.77 CA2 (0.37) CA2
SCHEMBL3483867 0.77 AKR1B1 (0.36) AKR1B1CA2FBP1F10MEN1
SCHEMBL3480181 0.71
SCHEMBL3480191 0.71 MMP13 (0.34) MMP13
SCHEMBL3483182 0.69
SCHEMBL3480335 0.68

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 5 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-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 AKR1B1 3286/4885CA2 440/4885FBP1 234/4885

“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.