SCHEMBL2108985

SCHEMBL2108985

O=C(CCNCCCCOc1ccc(Cc2ccccc2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.69
S1PR1 P21453 4/20 0.55
S1PR3 Q99500 2/20 0.54
S1PR5 Q9H228 1/20 0.54
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL469078 0.89 S1PR1 (0.69) LTA4HS1PR1S1PR3S1PR5CYSLTR2
Hydrochloric Acid SCHEMBL453376 0.88 S1PR1 (0.67) LTA4HS1PR1S1PR3S1PR5CYSLTR2
SCHEMBL449652 0.82 S1PR1 (0.62) LTA4HS1PR1S1PR3S1PR5
SCHEMBL451086 0.82 S1PR1 (0.62) LTA4HS1PR1S1PR3S1PR5
SCHEMBL449469 0.82 S1PR1 (0.62) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7135460 0.82 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5L3MBTL1
SCHEMBL448995 0.82 S1PR1 (0.59) LTA4HS1PR1S1PR3S1PR5
SCHEMBL2108981 0.81 LTA4H (1.00) LTA4H
SCHEMBL448469 0.80 S1PR1 (0.59) LTA4HS1PR1S1PR3S1PR5
SCHEMBL450227 0.80 S1PR1 (0.59) LTA4HS1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617597-B2 Genetic susceptibility variants associated with cardiovascular disease DECODE GENETICS EHF (IS) 2017-04-11 US disclosed
EP-2471954-B1 Genetic susceptibility variants associated with cardiovascular disease DECODE GENETICS EHF (IS) 2016-08-24 EP disclosed
EP-2155907-B1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENT OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION DECODE GENETICS EHF (IS) 2015-05-27 EP disclosed
US-20120208709-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF. (IS) 2012-08-16 US disclosed
EP-2471954-A1 Genetic susceptibility variants associated with cardiovascular disease Decode Genetics EHF (IS) 2012-07-04 EP disclosed
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-20100120045-A1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENTS OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION DECODE GENETICS EHF (IS) 2010-05-13 US disclosed
US-20100068705-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF (IS) 2010-03-18 US disclosed
EP-2155907-A2 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENT OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION Decode Genetics EHF (IS) 2010-02-24 EP disclosed
EP-2115172-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE Decode Genetics EHF (IS) 2009-11-11 EP disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
WO-2008132763-A2 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENT OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION DECODE GENETICS EHF (IS) 2008-11-06 WO disclosed
WO-2008102380-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF (IS) 2008-08-28 WO disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
EP-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 EP disclosed
EP-1670445-A2 METHODS OF PREVENTING OR TREATING RECURRENCE OF MYOCARDIAL INFARCTION Decode Genetics EHF. (IS) 2006-06-21 EP disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 US disclosed
US-20050272051-A1 Methods of preventing or treating recurrence of myocardial infarction DECODE GENETICS EHF. (IS) 2005-12-08 US disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed
WO-2005027886-A2 METHODS OF PREVENTING OR TREATING RECURRENCE OF MYOCARDIAL INFARCTION DECODE GENETICS EHF. (IS) 2005-03-31 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 (4 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-20100120045-A1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENTS OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION TNNI3, TSG101, ALDH1B1 LTA4H 91/4885S1PR1 3131/4885S1PR3 2296/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 LTA4H 4/4885S1PR1 990/4885S1PR3 1108/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 LTA4H 64/4885S1PR1 1227/4885S1PR3 1188/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 LTA4H 56/4885S1PR1 1250/4885S1PR3 1175/4885

“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.