SCHEMBL6525769

SCHEMBL6525769

N[C@@H](CC(=O)OCCCCO[N+](=O)[O-])C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 6/20 0.43
CA9 Q16790 6/20 0.43
PTGS2 P35354 4/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6525770 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13397085 0.98 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL16124755 0.93 NPSR1 (0.45) CA12CA1CA2CA4CA9
SCHEMBL13397026 0.92 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL13397065 0.89 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL13396952 0.88 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL16124676 0.88 PTGS2 (0.41) CA12CA1CA2CA4CA9
SCHEMBL3401453 0.87 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13396951 0.86 CA12 (0.39) CA12CA1CA2CA4CA9
SCHEMBL13396535 0.86 CA12 (0.42) CA12CA1CA2CA4CA9

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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT CA12 4398/4885CA1 4707/4885CA2 1953/4885

“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.