SCHEMBL2799147

SCHEMBL2799147

CC(C)(C)[N+]([O-])=Cc1ccccc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCAT2 O15382 1/20 0.32
THRB P10828 2/20 0.31
SLC6A2 P23975 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL13232732 1.00 KMT2A (0.36) KMT2AMEN1ALDH1A1BRD4CREBBP
SCHEMBL15216504 0.85 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1THRB
SCHEMBL6449468 0.85 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL1004336 0.85 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1THRB
SCHEMBL13232749 0.85 CA2 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL29514984 0.85 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1THRB
SCHEMBL6449477 0.83 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL2800278 0.83 PSIP1 (0.36) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL13233049 0.83 PSIP1 (0.36) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL13232800 0.82 NR3C2 (0.41) KMT2AMEN1ALDH1A1LMNATHRB

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 KMT2A 4071/4885MEN1 4882/4885ALDH1A1 226/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 KMT2A 4071/4885MEN1 4882/4885ALDH1A1 226/4885

“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.