SCHEMBL1785103

SCHEMBL1785103

CC1=C(C)C(=O)C(CCC(C)C(=O)N2CCC(F)CC2)=C(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 1/20 0.37
EPHX2 P34913 3/20 0.36
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
DPP7 Q9UHL4 3/20 0.33
IDO1 P14902 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1656645 0.90 DPP4 (0.37) DPP4EPHX2PTPN2PTPN1CDC25B
SCHEMBL1785284 0.85 CYP3A4 (0.47) CYP3A4CYP2C19
SCHEMBL1782898 0.84 PIK3CD (0.37) PTPN2PTPN1CDC25BIDO1ADAMTS5
SCHEMBL1782522 0.76 NPC1 (0.44)
SCHEMBL3429748 0.76 DPP4 (0.39) DPP4DPP8DPP9EPHX2DPP7
SCHEMBL1189481 0.73 ALOX15 (0.44) PTPN2PTPN1CDC25B
SCHEMBL25015600 0.70 PTPN2 (0.42) PTPN2PTPN1CDC25BIDO1
SCHEMBL1785701 0.70 PTPN2 (0.42) PTPN2PTPN1CDC25BIDO1
SCHEMBL8125090 0.66 PTPN2 (0.46) PTPN2PTPN1CDC25BIDO1CYP3A4
SCHEMBL2739929 0.66 MEN1 (0.48) DPP4DPP8DPP9EPHX2DPP7

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 7 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 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 DPP4 2737/4885DPP8 3295/4885DPP9 3196/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 DPP4 2737/4885DPP8 3295/4885DPP9 3196/4885

“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.