SCHEMBL13032085

SCHEMBL13032085

N#Cc1ccc(OP(=O)(O)CNS(=O)(=O)c2cc3cc(OCCN)ccc3s2)cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.33
CA1 P00915 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
CCR2 P41597 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
SCHEMBL14943017 0.92 CLK1 (0.34) CA2SLC40A1
SCHEMBL14942987 0.91 CA2 (0.31) CA2CCR2
SCHEMBL13032088 0.86 CA2 (0.35) CA2CA1
SCHEMBL13032075 0.85 TRPV4 (0.39)
SCHEMBL13032081 0.83 TRPV4 (0.36)
SCHEMBL3483812 0.81 CA2 (0.32) CA2CA1
SCHEMBL14943016 0.79 LMNA (0.35) CA2
SCHEMBL14943032 0.79 TRPV4 (0.37)
SCHEMBL3483772 0.78 TRPV4 (0.36)
SCHEMBL14931181 0.78 TRPV4 (0.37)

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 2 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

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 440/4885CA1 3102/4885SLC40A1 2996/4885

“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.