SCHEMBL7139259

SCHEMBL7139259

COc1ccc(S(N)(=O)=O)cc1C(C)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
PTGS1 P23219 4/20 0.49
PTGS2 P35354 5/20 0.48
CA2 P00918 6/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ACHE P22303 2/20 0.46
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA1A P35348 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
SCHEMBL9092422 0.87 TSHR (0.58) GAAPTGS1PTGS2CA2CA1
SCHEMBL7911279 0.86 CYP2D6 (0.61) GAAPTGS1PTGS2CA2CA1
SCHEMBL7903986 0.84 ADRA1A (0.60) GAAPTGS1PTGS2CA2CA1
SCHEMBL7913936 0.82 GAA (0.48) GAAPTGS1PTGS2CA2CA1
SCHEMBL7903977 0.81 ADRA1A (0.56) GAAPTGS1PTGS2CA2CA1
SCHEMBL7917762 0.80 ADRA1A (0.47) GAAPTGS1PTGS2CA2CA1
SCHEMBL26671266 0.78 CA2 (0.47) GAACA2CA1CA9CA12
SCHEMBL7137336 0.78 HTT (0.48) GAAPTGS1PTGS2CA2CA1
SCHEMBL7913954 0.78 ADRA1A (0.45) GAAPTGS1PTGS2CA2CA1
SCHEMBL2007287 0.77 POLB (0.70) GAAPTGS1PTGS2CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964849-B1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
EP-1270554-A1 Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC. (US) 2003-01-02 EP disclosed
EP-1270565-A1 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives PFIZER INC. (US) 2003-01-02 EP disclosed
US-6433009-B1 TREATMENT OF AUTOIMMUNE, CARDIOVASCULAR, NERVOUS SYSTEM, GASTROINTESTINAL, RESPIRATORY SYSTEM, AND VIRAL DISORDERS; ANTIDIABETIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANTIDEPRESSANT AGENTS PFIZER INC 2002-08-13 US disclosed
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed
US-6166064-A Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC (US) 2000-12-26 US disclosed
EP-0964849-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1999-12-22 EP disclosed
WO-1998032733-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1998-07-30 WO disclosed