SCHEMBL7760109

SCHEMBL7760109

CCCSc1ccccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.47
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
SOAT1 P35610 1/20 0.38
PDE5A O76074 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL8595709 0.89 PTGS2 (0.51) PTGS2TDP1MEN1LMNATHRB
SCHEMBL6765848 0.87 PTGS2 (0.51) PTGS2TDP1MEN1LMNATHRB
SCHEMBL9428037 0.86 PTGS2 (0.52) PTGS2TDP1MEN1LMNATHRB
SCHEMBL11443812 0.86 PTGS2 (0.52) PTGS2TDP1MEN1LMNATHRB
SCHEMBL9560125 0.86 PTGS2 (0.52) PTGS2TDP1MEN1LMNATHRB
SCHEMBL7721146 0.86 PTGS2 (0.52) PTGS2TDP1MEN1LMNATHRB
SCHEMBL9428564 0.86 PTGS2 (0.52) PTGS2TDP1MEN1LMNATHRB
SCHEMBL11434977 0.86 PTGS2 (0.52) PTGS2TDP1MEN1LMNATHRB
SCHEMBL2801460 0.84 LMNA (0.48) TDP1MEN1LMNATHRBBLM
SCHEMBL21277331 0.84 PTGS2 (0.43) PTGS2LMNABLMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 EP claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed
EP-2655303-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES Firmenich SA (CH) 2013-10-30 EP disclosed
WO-2012084810-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2012-06-28 WO disclosed
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 EP disclosed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP disclosed
US-5773626-A HALOGENATION OF A 2-(ALKYLTHIO)BENZALDEHYDE OXIME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-06-30 US disclosed
EP-0572712-B1 Processes for producing 2-substituted benzo(beta)thiophene SUMITOMO SEIKA CHEMICALS (JP) 1998-01-21 EP disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP disclosed
US-5298630-A Reacting 2-alkylthiobenzaldehyde derivative with halo compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-03-29 US disclosed
EP-0572712-A2 Processes for producing 2-substituted benzo(beta)thiophene SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-12-08 EP disclosed