SCHEMBL2328583

SCHEMBL2328583

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
SIGMAR1 Q99720 2/20 0.50
RARB P10826 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
P2RY14 Q15391 1/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL6211997 0.96 CA1 (0.52) TDP1CA1CA2SIGMAR1RARB
SCHEMBL379892 0.90 CA2 (0.54) TDP1CA1CA2SIGMAR1MEN1
SCHEMBL2333929 0.88 CYP4A11 (0.58) TDP1CA1CA2SIGMAR1GAA
SCHEMBL4961185 0.87 SIGMAR1 (0.62) TDP1SIGMAR1MEN1KMT2AGAA
SCHEMBL31307112 0.86 TDP1 (0.54) TDP1CA1CA2SIGMAR1MEN1
SCHEMBL22102023 0.86 NPSR1 (0.61) TDP1SIGMAR1MEN1KMT2AGAA
SCHEMBL31307113 0.86 TDP1 (0.58) TDP1CA1CA2SIGMAR1MEN1
SCHEMBL29301875 0.86 TDP1 (0.54) TDP1CA1CA2MEN1KMT2A
SCHEMBL5468072 0.86 NPSR1 (0.61) TDP1SIGMAR1MEN1KMT2AGAA
SCHEMBL917871 0.86 TDP1 (0.54) TDP1CA1CA2SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (9 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 TDP1 4344/4885CA1 873/4885CA2 162/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G TDP1 4539/4885CA1 656/4885CA2 203/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A TDP1 4344/4885CA1 873/4885CA2 162/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B TDP1 4090/4885CA1 589/4885CA2 176/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D TDP1 2462/4885CA1 3670/4885CA2 138/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A TDP1 4344/4885CA1 873/4885CA2 162/4885
US-20090227530-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A TDP1 4344/4885CA1 873/4885CA2 162/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A TDP1 4344/4885CA1 873/4885CA2 162/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B TDP1 4090/4885CA1 589/4885CA2 176/4885

“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.