SCHEMBL1826426

SCHEMBL1826426

CC(OCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB3 P13945 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
FAAH O00519 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CASR P41180 1/20 0.40
BCHE P06276 7/20 0.40
ACHE P22303 6/20 0.39
ALDH1A2 O94788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH1B1 P30837 1/20 0.38
ALDH1A3 P47895 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
SCHEMBL3579723 0.87 ALDH1A1 (0.43) ADRB3KMT2ASMN1; SMN2ALOX5FAAH
SCHEMBL1823692 0.85 CA1 (0.43) KMT2ASMN1; SMN2ALOX5PPARGPPARA
SCHEMBL1828852 0.83 SGMS2 (0.44) ADRB2ADRB3KMT2ASMN1; SMN2ALOX5
SCHEMBL1826784 0.83 PPARG (0.45) ADRB2ADRB3KMT2ASMN1; SMN2ALOX5
SCHEMBL1827190 0.83 MEN1 (0.43) KMT2ABCHEACHEALDH1A1
SCHEMBL1827104 0.82 KMT2A (0.45) ADRB2ADRB3KMT2ASMN1; SMN2FAAH
SCHEMBL2838421 0.81 ALOX5 (0.48) ADRB2ADRB3KMT2ASMN1; SMN2ALOX5
SCHEMBL1825973 0.78 CA1 (0.39) BCHEACHEALDH1A1
SCHEMBL2053885 0.78 CA1 (0.39) KMT2AFAAHPPARGBCHEACHE
SCHEMBL2025338 0.78 CA1 (0.39) KMT2AFAAHPPARGBCHEACHE

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-12-09 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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
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 (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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ADRB2 727/4885ADRB3 1280/4885KMT2A 1068/4885
US-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H ADRB2 250/4885ADRB3 220/4885KMT2A 4348/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H ADRB2 250/4885ADRB3 220/4885KMT2A 4348/4885
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 ADRB2 185/4885ADRB3 175/4885KMT2A 4810/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 ADRB2 185/4885ADRB3 175/4885KMT2A 4810/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADRB2 1073/4885ADRB3 1134/4885KMT2A 1084/4885

“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.