SCHEMBL2798321

SCHEMBL2798321

CC(C)(C)NS(=O)(=O)c1ccccc1C=[N+]([O-])C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.41
PARG Q86W56 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX5AP P20292 6/20 0.35
FEN1 P39748 6/20 0.35
GAA P10253 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL13232916 1.00 NSD2 (0.41) NSD2PARGBRD4MAPTSMN1; SMN2
SCHEMBL13232800 0.86 NR3C2 (0.41) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL2797443 0.86 NR3C2 (0.41) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL13232751 0.82 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1ALOX5APFEN1
SCHEMBL13232918 0.82 CA12 (0.48) NSD2LMNAALDH1A1
SCHEMBL2798427 0.82 CA12 (0.48) NSD2LMNAALDH1A1
SCHEMBL13232732 0.81 KMT2A (0.36) BRD4MEN1LMNAKMT2AALDH1A1
SCHEMBL2799147 0.81 KMT2A (0.36) BRD4MEN1LMNAKMT2AALDH1A1
SCHEMBL15216504 0.80 KMT2A (0.38) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13232749 0.80 CA2 (0.40) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 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 (2 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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 NSD2 2837/4885PARG 4366/4885BRD4 934/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 NSD2 2837/4885PARG 4366/4885BRD4 934/4885

“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.