SCHEMBL911294

SCHEMBL911294

CC(C)(C)OC(=O)NCCCCc1ccc(OCCC(NCC(=O)O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 11/20 0.54
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL911463 0.83 CA12 (0.56) SUCNR1ITGB3ITGA2BCA1CA2
SCHEMBL911228 0.83 CA1 (0.46) SUCNR1ITGB3ITGA2BCA1CA2
SCHEMBL917117 0.82 CA1 (0.54) SUCNR1CA1CA2CA12CA9
SCHEMBL30521147 0.81 CA1 (0.60) SUCNR1CA1CA2CA12CA9
SCHEMBL910749 0.80 ITGB3 (0.52) SUCNR1ITGB3ITGA2B
SCHEMBL29107778 0.79 MEN1 (0.60) SUCNR1ITGB3ITGA2BCA1CA2
SCHEMBL7300004 0.79 ITGB3 (0.64) SUCNR1ITGB3ITGA2BCA1CA2
SCHEMBL5015557 0.79 CA1 (0.59) SUCNR1ITGB3ITGA2BCA1CA2
SCHEMBL910539 0.79 CA1 (0.62) SUCNR1ITGB3ITGA2BCA1CA2
SCHEMBL3174253 0.79 CA1 (0.53) SUCNR1ITGB3ITGA2BCA1CA2

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 3570/4885ITGB3 2862/4885ITGA2B 1900/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885ITGB3 2862/4885ITGA2B 1900/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 SUCNR1 3570/4885ITGB3 2862/4885ITGA2B 1900/4885

“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.