SCHEMBL6605218

SCHEMBL6605218

Cc1ccc(S(=O)(=O)S)cc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7371014 0.87 CA12 (0.50) SMN1; SMN2CA12CA9CA1CA2
SCHEMBL6604223 0.86 SFRP1 (0.43) POLBALDH1A1MAPTSMN1; SMN2TAS2R14
SCHEMBL1700679 0.84 CA2 (0.54) POLBPTGS1PTGS2CA12CA9
SCHEMBL6929015 0.84 TAS2R14 (0.43) POLBALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL6959646 0.83 TDP1 (0.43) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL6603882 0.83 TDP1 (0.43) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL6603744 0.82 IDH1 (0.43) POLBTAS2R14CNR2GPR55L3MBTL1
SCHEMBL6605223 0.81 TAS2R14 (0.41) POLBALDH1A1MAPTSMN1; SMN2PTGS1
SCHEMBL6604217 0.81 PTGS2 (0.46) POLBALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL6609440 0.81 HTR2A (0.40) CA9CA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed