SCHEMBL910804

SCHEMBL910804

CCOC(=O)CC(CC(=O)O)NCCOc1ccc(CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 10/20 0.51
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LTA4H P09960 3/20 0.41

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
SCHEMBL910803 0.88 SUCNR1 (0.52) SUCNR1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL910657 0.83 LTA4H (0.45) SUCNR1ITGB3ITGA2BLTA4H
SCHEMBL911142 0.82 LTA4H (0.57) SUCNR1CA12CA1CA2CA9
SCHEMBL911231 0.80 LTA4H (0.55) SUCNR1CA12CA1CA2CA9
SCHEMBL911228 0.79 CA1 (0.46) SUCNR1CA12CA1CA2CA9
SCHEMBL911229 0.79 CA12 (0.49) SUCNR1CA12CA1CA2CA9
SCHEMBL15092810 0.78 MAPT (0.64) SUCNR1CA12CA1CA2CA9
SCHEMBL910116 0.78 CA1 (0.56) SUCNR1CA12CA1CA2CA9
SCHEMBL911463 0.78 CA12 (0.56) SUCNR1CA12CA1CA2CA9
SCHEMBL30521147 0.77 CA1 (0.60) SUCNR1CA12CA1CA2CA9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-1922073-B1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-10 EP disclosed
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
EP-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO disclosed
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-02-08 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 (3 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-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885CA12 1452/4885CA1 1345/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885CA12 1452/4885CA1 1345/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885CA12 1452/4885CA1 1345/4885

“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.