SCHEMBL2801170

SCHEMBL2801170

CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 4/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL4261335 1.00 FBP1 (0.50) FBP1ALDH1A1KMT2ATDP1GLA
SCHEMBL4261334 1.00 FBP1 (0.50) FBP1ALDH1A1KMT2ATDP1GLA
SCHEMBL13232834 0.84 TSHR (0.46) ALDH1A1KMT2ATDP1POLBL3MBTL1
SCHEMBL11808459 0.81 ALDH1A1 (0.54) ALDH1A1KMT2ATDP1POLBCA1
SCHEMBL4264328 0.81 ALDH1A1 (0.40) FBP1ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL4264331 0.81 ALDH1A1 (0.40) FBP1ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL8014956 0.80 FBP1 (0.55) FBP1ALDH1A1KMT2ATDP1TP53
SCHEMBL2801369 0.80 MAPT (0.45) ALDH1A1KMT2AL3MBTL1CA1CA2
SCHEMBL2798947 0.80 EGFR (0.48) ALDH1A1KMT2AMAPT
SCHEMBL13232832 0.80 EGFR (0.48) ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3988229-A Stabilized photopolymerizable polymeric compositions containing a photoinitiator and a nitrone derivative EASTMAN KODAK COMPANY (US) 1976-10-26 US claimed
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
US-20090318454-A1 NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT WEINER, CARL P 2009-12-24 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
US-6140356-A Opthalmic pharmaceutical compositions comprising a nitrone compound and methods for treating ocular inflammation using such compositions CENTAUR PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-5972977-A ALPHA-(4-PYRIDYL 1-OXIDE)-N-HYDROCARBYLNITRON USEFUL FOR TREATING EYE INFLAMMATION CONDITION SUCH AS UVEITIS CENTAUR PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
CN-1219130-A Composition comprising a nitrone compound for use in treating ocular inflammation CENTAUR PHARMACEUTICAL INC (US) 1999-06-09 CN disclosed
US-3988229-A Stabilized photopolymerizable polymeric compositions containing a photoinitiator and a nitrone derivative EASTMAN KODAK COMPANY (US) 1976-10-26 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 (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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 FBP1 3291/4885ALDH1A1 226/4885KMT2A 4071/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 FBP1 3291/4885ALDH1A1 226/4885KMT2A 4071/4885
US-20090318454-A1 NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT GPX1, SOD1, GPX4 FBP1 1938/4885ALDH1A1 268/4885KMT2A 2739/4885

“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.