SCHEMBL1659359

SCHEMBL1659359

CC1=C(C)C(=O)C(CCNS(=O)(=O)c2ccc(F)cc2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 7/20 0.55
PKM P14618 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL1656636 0.83 ALDH1A1 (0.65) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL1658988 0.83 MAPT (0.52) TAAR1ALDH1A1PKMMEN1KMT2A
SCHEMBL29260042 0.76 ALDH1A1 (0.84) TAAR1ALDH1A1PKMMEN1KMT2A
SCHEMBL14046920 0.74 ALDH1A1 (0.70) TAAR1ALDH1A1PKMMEN1KMT2A
SCHEMBL1657666 0.72 NPC1 (0.55) ALDH1A1MEN1KMT2ATHRBPOLB
SCHEMBL13073499 0.72 TAAR1 (1.00) TAAR1ALDH1A1PKMMEN1KMT2A
SCHEMBL1660928 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL3277847 0.71 ALDH1A1 (0.77) TAAR1ALDH1A1PKMMEN1KMT2A
SCHEMBL1148907 0.71 ALDH1A1 (0.70) TAAR1ALDH1A1PKMMEN1KMT2A
SCHEMBL20522284 0.71 ALDH1A1 (0.70) TAAR1ALDH1A1PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US claimed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
JP-2011513423-A 2011-04-28 JP claimed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP claimed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 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 (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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 TAAR1 4380/4885ALDH1A1 413/4885PKM 528/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 TAAR1 4380/4885ALDH1A1 413/4885PKM 528/4885

“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.