SCHEMBL5983519

SCHEMBL5983519

CCOC(=O)CCNC(=O)Oc1c(C(C)(C)C)cc(C=[N+]([O-])C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL5984108 0.88 GAA (0.36)
SCHEMBL5984252 0.86 MGLL (0.44)
SCHEMBL5985457 0.85
SCHEMBL5984722 0.79 VCAM1 (0.41) VCAM1
SCHEMBL5984287 0.79 VCAM1 (0.39) VCAM1
SCHEMBL6731511 0.78 ALDH1A1 (0.41) MAPTKDM4ENLRP3
SCHEMBL5984127 0.78 VCAM1 (0.45) VCAM1KDM4E
SCHEMBL5985540 0.75 VCAM1 (0.35) VCAM1
SCHEMBL5984262 0.74 VCAM1 (0.33) VCAM1
SCHEMBL6731668 0.72 RXRA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998419-B2 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. (US) 2006-02-14 US disclosed
US-6835754-B2 Administering alpha-(4-hydroxy-3,5-di-tert-butylphenyl)-N-tert-octylnitrone for example RENOVIS, INC. 2004-12-28 US disclosed
US-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US disclosed
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-10-07 US disclosed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US disclosed
EP-1135367-A1 3,4,5-TRISUBSTITUTED ARYL NITRONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Centaur Pharmaceuticals, Inc. (US) 2001-09-26 EP disclosed
WO-2000032567-A1 3,4,5-TRISUBSTITUTED ARYL NITRONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-06-08 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 (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-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRK1, OPRD1 VCAM1 3354/4885CTSK 2823/4885MAPT 2021/4885
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 VCAM1 258/4885CTSK 1896/4885MAPT 3819/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 VCAM1 3588/4885CTSK 2803/4885MAPT 2031/4885

“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.