SCHEMBL4909007

SCHEMBL4909007

CCc1c(Oc2cccc(C)c2C)cccc1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 2/20 0.36
DHFR P00374 1/20 0.36
TP53 P04637 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL15333841 0.87 CA2 (0.37) GAAMEN1ESR1KMT2AESR2
SCHEMBL4908996 0.83 MAPT (0.39) CASP1MAPTSMN1; SMN2GAAMEN1
SCHEMBL3705401 0.80 CA2 (0.47) SMN1; SMN2NPSR1CA2CA9CA1
SCHEMBL30953901 0.78 CA1 (0.52) MAPTGAAALDH1A1NPSR1CA2
SCHEMBL15333692 0.76 PDIA6 (0.39) SMN1; SMN2GAAKMT2AALDH1A1NPSR1
SCHEMBL4279768 0.75 PTGS2 (0.40) MAPTGAAESR1KMT2AALDH1A1
SCHEMBL4566034 0.74 ALDH1A1 (0.44) GAAALDH1A1KDM4ECA2CA9
SCHEMBL6111191 0.74 CA2 (0.46) CA2CA9CA1CA12CA14
SCHEMBL4279771 0.73 CA2 (0.39) SMN1; SMN2CA2CA9CA1CA12
SCHEMBL4906292 0.73 ALDH1A1 (0.42) CASP1MAPTSMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-20160346291-A1 COMPOSITIONS AND THERAPEUTIC METHODS FOR ACCELERATED PLAQUE REGRESSION RESVERLOGIX CORP (CA) 2016-12-01 US disclosed
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2016-04-21 US disclosed
US-9199990-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2015-12-01 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
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 (7 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 CASP1 1324/4885MAPT 3436/4885SMN1; SMN2 3476/4885
US-20160346291-A1 COMPOSITIONS AND THERAPEUTIC METHODS FOR ACCELERATED PLAQUE REGRESSION PCSK9, TGFB1, HMGCR CASP1 1344/4885MAPT 256/4885SMN1; SMN2 4116/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CASP1 1324/4885MAPT 3436/4885SMN1; SMN2 3476/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CASP1 1324/4885MAPT 3436/4885SMN1; SMN2 3476/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CASP1 1324/4885MAPT 3436/4885SMN1; SMN2 3476/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CASP1 1324/4885MAPT 3436/4885SMN1; SMN2 3476/4885
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 CASP1 2597/4885MAPT 3320/4885SMN1; SMN2 4696/4885

“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.