SCHEMBL6761017

SCHEMBL6761017

CS(=O)(=O)Oc1cccc(CCOCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
FAAH O00519 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH1B1 P30837 1/20 0.39
ALDH1A3 P47895 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.39
BCHE P06276 1/20 0.39
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL8000451 0.82 FAAH (0.42) FAAHDRD2ALDH1A2ALDH1A1ALDH1B1
SCHEMBL14327865 0.80 MAOB (0.60) ABCB1HTR1ADRD2TDP1L3MBTL1
SCHEMBL27635587 0.79 MAOB (0.63) MGLLCYP4F2CYP4A11MAOBBCHE
SCHEMBL31487931 0.79 MAOB (0.63) MGLLCYP4F2CYP4A11MAOBBCHE
SCHEMBL8192007 0.79 CYP4F2 (0.68) MGLLCYP4F2CYP4A11L3MBTL1ALDH1A1
SCHEMBL9191664 0.79 KDM4E (0.46) FAAHDRD2ALDH1A1
SCHEMBL6198914 0.78 CYP4F2 (0.51) MGLLCYP4F2CYP4A11ABCB1HTR1A
SCHEMBL31487932 0.78 MAOB (0.61) MGLLCYP4F2CYP4A11MAOBBCHE
SCHEMBL28747906 0.77 FAAH (0.43) FAAHDRD2ALDH1A2ALDH1A1ALDH1B1
SCHEMBL6941013 0.77 CYP4F2 (0.53) FAAHCYP4F2CYP4A11TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-12-09 US disclosed
US-6770259-B2 ADMINISTEING RADIOLABELED LEUKOTRIENE (LTB4) BINDING AGENT AND A RADIOLABELED PERFUSION IMAGING AGENT; CONCURRENTLY DETECTING THE RADIOLABELED LTB4 BINDING AGENT BOUND AT THE LTB4 RECEPTOR AND THE RADIOLABELED PERFUSION IMAGING AGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
US-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation BRISTOL-MYERS SQUIBB COMPANY 2003-07-03 US disclosed
EP-0999856-B1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 EP disclosed
EP-1293214-A2 LTB4 antagonists and radiopharmaceuticals for imaging infection and inflammation Bristol-Myers Squibb Pharma Company (US) 2003-03-19 EP disclosed
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation BARRETT JOHN A (US) 2003-01-09 US disclosed
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LANTHEUS MEDICAL IMAGING, INC. 2003-01-02 US disclosed
US-6416733-B1 RADIOPHARMACEUTICALS BIND IN VIVO TO THE LEUKOTRIENE B4 (LTB4) RECEPTOR ON THE SURFACE OF LEUKOCYTES WHICH ACCUMULATE AT THE SITE OF INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-09 US disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 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-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H MGLL 285/4885FAAH 291/4885CYP4F2 843/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H MGLL 285/4885FAAH 291/4885CYP4F2 843/4885
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 MGLL 817/4885FAAH 523/4885CYP4F2 1088/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 MGLL 817/4885FAAH 523/4885CYP4F2 1088/4885

“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.