SCHEMBL148719

SCHEMBL148719

COc1cc(NC(=O)OC(C)(C)C)c(Br)c(OC)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL30434934 1.00 AAK1 (0.38) AAK1MTNR1AMTNR1BALDH1A1GAA
SCHEMBL30434717 0.83 AAK1 (0.40) AAK1MTNR1AMTNR1BALDH1A1GAA
SCHEMBL145071 0.83 AAK1 (0.40) AAK1MTNR1AMTNR1BALDH1A1GAA
SCHEMBL146137 0.81 KMT2A (0.42) ALDH1A1GAAKDM4E
SCHEMBL30434536 0.81 KMT2A (0.42) ALDH1A1GAAKDM4E
SCHEMBL31503888 0.76 TAS1R3 (0.39) AAK1ALDH1A1GAAKDM4ECA1
SCHEMBL29582105 0.74 AAK1 (0.46) AAK1ALDH1A1GAAKDM4E
SCHEMBL14494974 0.71 KDM4E (0.40) AAK1ALDH1A1GAAKDM4ECA1
SCHEMBL25530111 0.71 CYP17A1 (0.41) AAK1
SCHEMBL5786936 0.71 ALDH1A1 (0.50) AAK1MTNR1AMTNR1BALDH1A1GAA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 US disclosed
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (US) 2015-03-12 US disclosed
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
WO-2013156869-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 WO disclosed
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
US-8053440-B2 Compounds for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2011-11-08 US disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO disclosed
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists HEPALINK (HONG KONG) LIMITED (HK) 2008-08-07 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 (11 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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 AAK1 950/4885MTNR1A 364/4885MTNR1B 360/4885
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 AAK1 1074/4885MTNR1A 518/4885MTNR1B 778/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 AAK1 950/4885MTNR1A 364/4885MTNR1B 360/4885
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 AAK1 521/4885MTNR1A 2144/4885MTNR1B 1705/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 AAK1 950/4885MTNR1A 364/4885MTNR1B 360/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 AAK1 950/4885MTNR1A 364/4885MTNR1B 360/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 AAK1 950/4885MTNR1A 364/4885MTNR1B 360/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 AAK1 521/4885MTNR1A 2144/4885MTNR1B 1705/4885
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists APOB, LDLR, APOL1 AAK1 435/4885MTNR1A 53/4885MTNR1B 51/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 AAK1 521/4885MTNR1A 2144/4885MTNR1B 1705/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 AAK1 521/4885MTNR1A 2144/4885MTNR1B 1705/4885

“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.