SCHEMBL5983680

SCHEMBL5983680

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.35
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5985540 0.86 VCAM1 (0.35) VCAM1ALDH1A1KMT2ATSHRTDP1
SCHEMBL6731121 0.84 ALOX5 (0.34) VCAM1NPSR1GPR55
SCHEMBL5983540 0.82 VCAM1 (0.36) VCAM1ALDH1A1KMT2ANPSR1GPR55
SCHEMBL6738995 0.79 MEN1 (0.45) ALDH1A1KMT2ANPSR1GPR55TSHR
SCHEMBL5984007 0.78 VCAM1 (0.34) VCAM1ALDH1A1KMT2ATSHRTDP1
SCHEMBL5984640 0.78 VCAM1 (0.32) VCAM1NPSR1GPR55
SCHEMBL5984287 0.75 VCAM1 (0.39) VCAM1ALDH1A1KMT2ANPSR1
SCHEMBL5984202 0.74 FNTA (0.42) VCAM1KMT2ANPSR1GPR55
SCHEMBL5984722 0.73 VCAM1 (0.41) VCAM1
SCHEMBL5983556 0.72 TUBB4A (0.39) TSHR

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 17 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-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2003-04-24 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
WO-2002065993-A2 USE OF ARYL NITRONE COMPOUNDS IN METHODS FOR TREATING NEUROPATHIC PAIN CENTAUR PHARMACEUTICALS, INC. (US) 2002-08-29 WO disclosed
US-6342523-B1 DRUGS AND ANTIINFLAMMATORY AGENTS CENTAUR PHARMACEUTICALS, INC. 2002-01-29 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 (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 3354/4885ALDH1A1 219/4885KMT2A 2183/4885
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 VCAM1 316/4885ALDH1A1 121/4885KMT2A 4043/4885
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 VCAM1 258/4885ALDH1A1 114/4885KMT2A 3997/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 VCAM1 3588/4885ALDH1A1 200/4885KMT2A 2422/4885
US-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor CCL11, TXNRD3, CX3CR1 VCAM1 198/4885ALDH1A1 1148/4885KMT2A 3435/4885

“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.