SCHEMBL2333929

SCHEMBL2333929

COC(=O)c1ccc(CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.58
CYP4F2 P78329 1/20 0.58
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
MGLL Q99685 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
BRD4 O60885 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL21221559 0.96 CYP4A11 (0.57) CYP4A11CYP4F2CA1CA2MGLL
SCHEMBL1936202 0.90 MGLL (0.55) CYP4A11CYP4F2CA1CA2MGLL
SCHEMBL2328583 0.88 TDP1 (0.51) CA1CA2TDP1POLBBRD4
SCHEMBL22915442 0.87 CA1 (0.57) CYP4A11CYP4F2CA1CA2MGLL
SCHEMBL1794948 0.87 CA1 (0.49) CYP4A11CA1CA2MGLLTDP1
SCHEMBL4465651 0.86 MGLL (0.51) CYP4A11CYP4F2CA1CA2MGLL
SCHEMBL30905400 0.86 POLB (0.67) CA1CA2MGLLTDP1POLB
SCHEMBL31307112 0.85 TDP1 (0.54) CA1CA2TDP1POLBSIGMAR1
SCHEMBL31307113 0.85 TDP1 (0.58) CA1CA2TDP1POLBSIGMAR1
SCHEMBL917871 0.85 TDP1 (0.54) CA1CA2TDP1POLBSIGMAR1

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-20190241528-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2019-08-08 US disclosed
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
US-8846688-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2014-09-30 US disclosed
US-20140179625-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-06-26 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
EP-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed
US-20090227530-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 US disclosed
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-11-15 US disclosed
EP-1485360-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-07-05 EP disclosed
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents CYFI, INC. (US) 2006-06-29 US disclosed
EP-1485360-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 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 (10 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-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4A11 1954/4885CYP4F2 4098/4885CA1 873/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G CYP4A11 2080/4885CYP4F2 2670/4885CA1 656/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4A11 1954/4885CYP4F2 4098/4885CA1 873/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B CYP4A11 1602/4885CYP4F2 1682/4885CA1 589/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D CYP4A11 1257/4885CYP4F2 3763/4885CA1 3670/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4A11 1954/4885CYP4F2 4098/4885CA1 873/4885
US-20090227530-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4A11 1954/4885CYP4F2 4098/4885CA1 873/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4A11 1954/4885CYP4F2 4098/4885CA1 873/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B CYP4A11 1602/4885CYP4F2 1682/4885CA1 589/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4A11 1954/4885CYP4F2 4098/4885CA1 873/4885

“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.