SCHEMBL5984722

SCHEMBL5984722

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.41
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL5984127 0.93 VCAM1 (0.45) VCAM1
SCHEMBL5984287 0.90 VCAM1 (0.39) VCAM1
SCHEMBL5985540 0.82 VCAM1 (0.35) VCAM1
SCHEMBL5984108 0.81 GAA (0.36)
SCHEMBL5985457 0.81
SCHEMBL5984432 0.80 PTGS1 (0.34)
SCHEMBL5984252 0.80 MGLL (0.44)
SCHEMBL5983519 0.79 VCAM1 (0.33) VCAM1
SCHEMBL5984262 0.79 VCAM1 (0.33) VCAM1
SCHEMBL6731511 0.79 ALDH1A1 (0.41)

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 13 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 claimed
US-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US claimed
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-10-07 US claimed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US claimed
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-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor RENOVIS, INC. 2005-09-29 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-6730700-B2 3,4,5,-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-05-04 US disclosed
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2003-04-24 US disclosed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US disclosed
US-6342523-B1 DRUGS AND ANTIINFLAMMATORY AGENTS CENTAUR PHARMACEUTICALS, INC. 2002-01-29 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 (5 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 3354/4885BCL9 4363/4885CTNNB1 2995/4885
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 VCAM1 316/4885BCL9 1500/4885CTNNB1 3042/4885
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 VCAM1 258/4885BCL9 1124/4885CTNNB1 3109/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 VCAM1 3588/4885BCL9 4418/4885CTNNB1 3109/4885
US-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor CCL11, TXNRD3, CX3CR1 VCAM1 198/4885BCL9 2179/4885CTNNB1 3069/4885

“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.