SCHEMBL4499222

SCHEMBL4499222

CS(=O)(=O)OCCN(Cc1ccccc1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
CA2 P00918 1/20 0.49
APLNR P35414 1/20 0.47
GAA P10253 2/20 0.44
CNR2 P34972 1/20 0.43
TSHR P16473 1/20 0.43
PER2 O15055 1/20 0.43
CRY1 Q16526 1/20 0.43
CRY2 Q49AN0 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5530038 0.95 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1POLBCA2APLNR
SCHEMBL4504046 0.87 CNR2 (0.48) SMN1; SMN2ALDH1A1POLBCA2GAA
SCHEMBL5672847 0.83 MCHR1 (0.45) SMN1; SMN2ALDH1A1POLBCA2CNR2
SCHEMBL10312253 0.82 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1POLBCA2APLNR
SCHEMBL5746057 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL10312252 0.81 CNR2 (0.62) SMN1; SMN2ALDH1A1POLBCA2GAA
SCHEMBL4505170 0.81 LTA4H (0.45) SMN1; SMN2TSHRLMNA
SCHEMBL9002525 0.79 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1POLBCA2APLNR
SCHEMBL18221854 0.79 CA2 (0.56) SMN1; SMN2ALDH1A1POLBCA2APLNR
SCHEMBL5675347 0.79 MAOB (0.49) CA2CNR2TSHRCYP1A2CYP2D6

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
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO disclosed
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
EP-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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 (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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SMN1; SMN2 1997/4885ALDH1A1 445/4885POLB 716/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SMN1; SMN2 1997/4885ALDH1A1 445/4885POLB 716/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SMN1; SMN2 1997/4885ALDH1A1 445/4885POLB 716/4885
US-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB SMN1; SMN2 3869/4885ALDH1A1 4290/4885POLB 1191/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SMN1; SMN2 1997/4885ALDH1A1 445/4885POLB 716/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SMN1; SMN2 1997/4885ALDH1A1 445/4885POLB 716/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E SMN1; SMN2 1997/4885ALDH1A1 445/4885POLB 716/4885

“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.