SCHEMBL1785701

SCHEMBL1785701

CC1=C(C)C(=O)C(CCC(C)C(N)=O)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
IDO1 P14902 1/20 0.41
ALOX15 P16050 5/20 0.36
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL25015600 1.00 PTPN2 (0.42) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL8125090 0.77 PTPN2 (0.46) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL14747552 0.77 IDO1 (0.63) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1660804 0.74 TSHR (0.42) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL25015607 0.73 PTPN2 (0.40) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL11271755 0.72 CDC25B (0.47) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL23925089 0.72 PTPN2 (0.39) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1782898 0.72 PIK3CD (0.37) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1658812 0.72 ALOX15 (0.41) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1785284 0.71 CYP3A4 (0.47)

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
EP-3733642-B1 4-(P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES PTC THERAPEUTICS INC (US) 2024-05-08 EP disclosed
US-11840497-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases PTC THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20220265578-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE BIOELECTRON TECHNOLOGY CORPORATION 2022-08-25 US disclosed
US-11304914-B2 Polymorphic and amorphous forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide PTC THERAPEUTICS, INC. (US) 2022-04-19 US disclosed
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 (5 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-11840497-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases FH, NLN, ACAA2 PTPN2 4586/4885PTPN1 4649/4885CDC25B 4661/4885
US-11304914-B2 Polymorphic and amorphous forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide ACAA2, HADHA, HOGA1 PTPN2 3891/4885PTPN1 4138/4885CDC25B 1513/4885
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PTPN2 3616/4885PTPN1 4024/4885CDC25B 1123/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PTPN2 3616/4885PTPN1 4024/4885CDC25B 1123/4885
US-20220265578-A1 POLYMORPHIC AND AMORPHOUS FORMS OF (R)-2-HYDROXY-2-METHYL-4-(2,4,5-TRIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)BUTANAMIDE ACAA2, HADHA, HOGA1 PTPN2 3891/4885PTPN1 4138/4885CDC25B 1513/4885

“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.