SCHEMBL3433166

SCHEMBL3433166

COc1cc(OCC(=O)O)ccc1-c1cc(CN=CC(=O)[O-])nc(CN(CC(=O)[O-])CN(CCc2ccc(N=C=S)cc2)CN(CC(=O)[O-])Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN=CC(=O)[O-])n2)c1.COc1cc(OCC(=O)O)ccc1-c1cc(CN=CC(=O)[O-])nc(CN(CC(=O)[O-])CN(CCc2ccc(N=C=S)cc2)CN(CC(=O)[O-])Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN=CC(=O)[O-])n2)c1.COc1cc(OCC(=O)O)ccc1-c1cc(CN=CC(=O)[O-])nc(CN(CC(=O)[O-])CN(CCc2ccc(N=C=S)cc2)CN(CC(=O)[O-])Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN=CC(=O)[O-])n2)c1.[Er+3].[Er+3].[Er+3].[Er+3]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL3433506 0.90 LPAR1 (0.35) LPAR1LPAR2
SCHEMBL18628115 0.84 LPAR1 (0.37) LPAR1LPAR2
SCHEMBL3434668 0.80 LPAR1 (0.37) LPAR1LPAR2
SCHEMBL3433647 0.77 L3MBTL1 (0.35)
SCHEMBL3402232 0.73 LPAR1 (0.39) LPAR1LPAR2
SCHEMBL15423453 0.66 KCNH2 (0.34)
SCHEMBL15117017 0.65 LTB4R (0.33) LPAR1LPAR2
SCHEMBL4598913 0.65 P2RY6 (0.50)
SCHEMBL8548578 0.65 CTSA (0.45)
SCHEMBL9356167 0.64 P2RY6 (0.44)

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-8216856-B2 Luminescent lanthanide labelling reagents and their use ABACUS DIAGNOSTICA OY (FI) 2012-07-10 US disclosed
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed
US-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-04-01 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-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE SCLY, SRM, TST LPAR1 3415/4885LPAR2 3306/4885

“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.