SCHEMBL2561971

SCHEMBL2561971

O=[N+]([O-])c1ccc(OCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
PTGS2 P35354 1/20 0.47
HSPB1 P04792 1/20 0.47
MAOB P27338 2/20 0.47
AOC3 Q16853 1/20 0.47
KCNH2 Q12809 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3040542 0.90 LMNA (0.45) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL5668218 0.87 LMNA (0.43) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL745595 0.86 HSPB1 (0.50) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL31177588 0.83 PTGS2 (0.49) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL17562364 0.83 PTGS2 (0.51) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL4743797 0.82 LMNA (0.53) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL10353207 0.82 MAPT (0.53) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL3885683 0.80 CFTR (0.54) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL2560961 0.79 ALDH1A1 (0.56) LMNAPTGS2HSPB1MAOBAOC3
SCHEMBL9066838 0.79 PTGS2 (0.54) LMNAPTGS2HSPB1MAOBKCNH2

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
US-10399986-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-09-03 US disclosed
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS, LLC 2018-06-14 US disclosed
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-05-10 US disclosed
US-9856249-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2018-01-02 US disclosed
US-9777006-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-10-03 US disclosed
US-9777006-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-10-03 US disclosed
US-20160068524-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
US-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
US-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
US-20160068524-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 US disclosed
WO-2014152518-A2 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2014-09-25 WO disclosed
WO-2014152518-A2 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2014-09-25 WO disclosed
WO-2014152229-A2 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2014-09-25 WO disclosed
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 US disclosed
EP-0966466-B1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RES INST CHEM TECH (KR) 2002-07-03 EP disclosed
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LMNA 1402/4885PTGS2 227/4885HSPB1 4275/4885
US-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES LMNA 4027/4885PTGS2 20/4885HSPB1 1470/4885
US-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LMNA 2174/4885PTGS2 105/4885HSPB1 2101/4885
US-10399986-B2 Inhibitors of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R LMNA 2152/4885PTGS2 102/4885HSPB1 2117/4885
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LMNA 2152/4885PTGS2 102/4885HSPB1 2117/4885
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTC4S, LTB4R LMNA 2111/4885PTGS2 104/4885HSPB1 2078/4885
US-20160068524-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LMNA 2111/4885PTGS2 104/4885HSPB1 2078/4885

“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.