SCHEMBL7635581

SCHEMBL7635581

CC(C)(C)c1cc(S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
HTR6 P50406 1/20 0.50
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.46
POLB P06746 2/20 0.46
GFER P55789 1/20 0.46
CA2 P00918 3/20 0.45
TNFRSF1A P19438 1/20 0.45
CA1 P00915 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TYR P14679 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42

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
SCHEMBL28373324 0.78 CYP2C9 (0.57) PTGS2GAAMEN1KMT2APOLB
SCHEMBL8066769 0.77 HTR6 (0.58) HTR6GAAKMT2AHSD11B1POLB
SCHEMBL11676191 0.77 CYTH2 (0.65) HTR6GAAMEN1KMT2AGFER
SCHEMBL13522250 0.77 CA2 (0.56) PTGS2GAAMEN1KMT2APOLB
SCHEMBL5456564 0.76 PTGS2 (0.45) PTGS2GAAMEN1KMT2APOLB
SCHEMBL8375609 0.76 PTGS2 (0.48) PTGS2GAAMEN1KMT2APOLB
SCHEMBL4127736 0.76 GLRA3 (0.53) PTGS2HTR6GAAMEN1KMT2A
SCHEMBL2858798 0.76 ESR1 (0.55) PTGS2GAAMEN1KMT2APOLB
SCHEMBL15894599 0.76 CYTH2 (0.59) PTGS2HTR6GAAMEN1KMT2A
SCHEMBL4710701 0.75 CA2 (0.54) PTGS2GAAMEN1KMT2APOLB

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
EP-1015518-B1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF CIBA SC HOLDING AG (CH) 2002-05-15 EP disclosed
US-6323267-B1 MIXING HIGH MOLECULAR WEIGHT ORGANIC OR INORGANIC MATERIAL WITH ISOXINDIGO COMPOUND CIBA SPECIALTY CHEMICALS CORP. 2001-11-27 US disclosed
EP-1015518-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF Ciba SC Holding AG (CH) 2000-07-05 EP disclosed
WO-1999013007-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-03-18 WO disclosed
US-5192791-A Antiinflammatory agents, immunomodulators, analgesics and antipyretics BIOFOR, LTD. (US) 1993-03-09 US disclosed
US-4959482-A ANTIINFLAMMATORY, IMMUNOMODULATORY AND ANTIPYRETIC AGENTS, ANALGESICS BIOFOR, LTD. (US) 1990-09-25 US disclosed
US-4892870-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, IMMUNOMODULATING AGENTS BIOFOR, LTD. (US) 1990-01-09 US disclosed
EP-0094422-B1 SUBSTITUTED PYRIDINES RIKER LABORATORIES, INCORPORATED (US) 1988-08-03 EP disclosed
EP-0094425-B1 2,6-DI(T-BUTYL)-4-(2'-PYRROYL)PHENOL AND ANTIINFLAMMATORY COMPOSITIONS CONTAINING IT RIKER LABORATORIES, INCORPORATED (US) 1988-05-11 EP disclosed
US-4535165-A ANTIINFLAMMATORY, ANTIPYRETIC AGENTS, ANALGESICS, OXIDATION STABILIZERS OR ANTIBODY INHIBITORS RIKER LABORATORIES, INC. (US) 1985-08-13 US disclosed
US-4524210-A ANTIINFLAMMATORY AGENTS RIKER LABORATORIES, INC. (US) 1985-06-18 US disclosed
US-4431831-A ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS RIKER LABORATORIES, INC. (US) 1984-02-14 US disclosed
US-4418074-A 2,6 Di(t-butyl)-4-(2'-pyrrol)-phenol and anti-inflammatory use thereof RIKER LABORATORIES, INC. (US) 1983-11-29 US disclosed
EP-0094422-A1 SUBSTITUTED PYRIDINES. RIKER LABORATORIES INC (US) 1983-11-23 EP disclosed
EP-0094425-A1 2,6-Di(t-butyl)-4-(2'-pyrroyl)phenol and antiinflammatory compositions containing it. RIKER LABORATORIES INC (US) 1983-11-23 EP disclosed
US-4414217-A ANTIINFLAMMATORY RIKER LABORATORIES, INC. (US) 1983-11-08 US disclosed
EP-0080356-A2 Substituted furans RIKER LABORATORIES, INC. (US) 1983-06-01 EP disclosed
WO-1983001775-A1 SUBSTITUTED PYRIDINES RIKER LABORATORIES INC (US) 1983-05-26 WO disclosed
WO-1983001774-A1 SUBSTITUTED PYRROLE RIKER LABORATORIES INC (US) 1983-05-26 WO disclosed
US-4357345-A ANTIINFLAMMATORY AGENTS RIKER LABORATORIES, INC. (US) 1982-11-02 US disclosed