SCHEMBL910803

SCHEMBL910803

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 10/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL910804 0.88 SUCNR1 (0.51) SUCNR1CA1CA2CA12CA9
SCHEMBL910116 0.83 CA1 (0.56) SUCNR1CA1CA2CA12CA9
SCHEMBL916429 0.82 CA1 (0.53) SUCNR1CA1CA2CA12CA9
SCHEMBL11932195 0.82 ALDH1A1 (0.49)
SCHEMBL910656 0.82 ITGB3 (0.44) SUCNR1ITGB3ITGA2B
SCHEMBL16383769 0.81 CA1 (0.57) SUCNR1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL910655 0.81 ITGB3 (0.43) SUCNR1ITGB3ITGA2B
SCHEMBL5015557 0.80 CA1 (0.59) SUCNR1CA1CA2CA12CA9
SCHEMBL910539 0.80 CA1 (0.62) SUCNR1CA1CA2CA12CA9
SCHEMBL14812141 0.80 CA1 (0.62) SUCNR1CA1CA2CA12CA9

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 16 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
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-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-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-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
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 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
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 3570/4885CA1 1345/4885CA2 165/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885CA1 1345/4885CA2 165/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885CA1 1345/4885CA2 165/4885

“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.