SCHEMBL2801003

SCHEMBL2801003

CC(C)CNS(=O)(=O)c1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
GBA1 P04062 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A9 P48067 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
SCHEMBL8993438 0.81 CA12 (0.44) ALDH1A1HPGDALOX5APFEN1MEN1
SCHEMBL15352816 0.78 PKM (0.49) ALDH1A1ATMALOX5APFEN1GBA1
SCHEMBL9229798 0.77 ALDH1A1 (0.46) ALDH1A1HPGDATMGAAALOX5AP
SCHEMBL2527735 0.77 ATM (0.54) ALDH1A1ATMGAAMEN1KMT2A
SCHEMBL15621005 0.77 GBA1 (0.63) ALDH1A1ATMALOX5APFEN1GBA1
SCHEMBL2227866 0.77 RECQL (0.56) ALDH1A1ATMALOX5APFEN1
SCHEMBL3630587 0.76 CYP2C19 (0.44) ALDH1A1HPGDALOX5APFEN1MEN1
SCHEMBL2798389 0.75 LMNA (0.46) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL2799637 0.75 CA12 (0.58) ALDH1A1ATMKMT2ALMNA
SCHEMBL10570781 0.74 ALDH1A1 (0.44) ALDH1A1HPGDATMGAAALOX5AP

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 ALDH1A1 226/4885HPGD 143/4885ATM 2326/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885HPGD 143/4885ATM 2326/4885

“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.