SCHEMBL4517485

SCHEMBL4517485

CS(=O)(=O)OCCNS(=O)(=O)CCCOc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CACNA1H O95180 2/20 0.41
CACNA1B Q00975 2/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MMP3 P08254 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MMP2 P08253 3/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4503827 0.85 LSS (0.41) MAPTCYP11B2CYP11B1MEN1KMT2A
SCHEMBL2903095 0.82 MAPT (0.51) ALDH1A1MAPTCACNA1HCACNA1BLMNA
SCHEMBL7959199 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCACNA1HCACNA1BHTT
SCHEMBL6275066 0.80 MAPT (0.57) ALDH1A1MAPTCACNA1HCACNA1BMMP3
SCHEMBL25270396 0.77 HDAC1 (0.56) ALDH1A1MAPTHTTMMP3HDAC1
SCHEMBL25275009 0.77 HDAC1 (0.56) ALDH1A1MAPTHTTMMP3HDAC1
SCHEMBL25228734 0.77 HDAC1 (0.56) ALDH1A1MAPTHTTMMP3HDAC1
SCHEMBL7991607 0.76 MMP2 (0.55) ALDH1A1MAPTMMP3HDAC1HDAC2
SCHEMBL6739953 0.76 MAPT (0.53) ALDH1A1MAPTCACNA1HCACNA1BMMP3
SCHEMBL4510392 0.72 MMP2 (0.48) ALDH1A1MAPTCACNA1HCACNA1BMMP3

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
US-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 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 (6 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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E ALDH1A1 445/4885MAPT 4603/4885CACNA1H 19/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E ALDH1A1 445/4885MAPT 4603/4885CACNA1H 19/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E ALDH1A1 445/4885MAPT 4603/4885CACNA1H 19/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E ALDH1A1 445/4885MAPT 4603/4885CACNA1H 19/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E ALDH1A1 445/4885MAPT 4603/4885CACNA1H 19/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E ALDH1A1 445/4885MAPT 4603/4885CACNA1H 19/4885

“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.