SCHEMBL3398544

SCHEMBL3398544

NC(CCC(=O)OCCCCO[N+](=O)[O-])C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA4 P22748 5/20 0.41
CA9 Q16790 5/20 0.41
NOD1 Q9Y239 2/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.35
HTR2C P28335 1/20 0.33
MTOR P42345 1/20 0.32

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
SCHEMBL6516893 1.00 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL13397111 0.98 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL13397113 0.97 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL16124746 0.92 NOD1 (0.47) NOD1HTR2C
SCHEMBL16124743 0.90 NOD1 (0.40) CA12CA1CA2CA4CA9
SCHEMBL13396954 0.90 NOD1 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13396953 0.88 NOD1 (0.44) CA12CA1CA2CA4CA9
SCHEMBL16124681 0.88 PTGS2 (0.42) CA12CA1CA2CA4CA9
SCHEMBL3398534 0.88 GRM8 (0.42) CA12CA1CA2CA4CA9
SCHEMBL13396542 0.87 NOD1 (0.41) 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 3 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
EP-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 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-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.