SCHEMBL6603882

SCHEMBL6603882

Cc1ccc(S(=O)(=O)S)cc1CCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SFRP1 Q8N474 1/20 0.41
POLB P06746 2/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
LTB4R Q15722 2/20 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
SCHEMBL6959646 0.97 TDP1 (0.43) TDP1SFRP1POLBCNR2ALDH1A1
SCHEMBL6604223 0.91 SFRP1 (0.43) TDP1SFRP1POLBCNR2ALDH1A1
SCHEMBL6605218 0.83 POLB (0.41) SFRP1POLBCNR2ALDH1A1SMN1; SMN2
SCHEMBL6603886 0.83 TDP1 (0.41) TDP1SFRP1POLBCNR2ALDH1A1
SCHEMBL16684875 0.82 KMT2A (0.44) TDP1SFRP1POLBCNR2ALDH1A1
SCHEMBL6959651 0.80 KMT2A (0.42) TDP1SFRP1POLBCNR2ALDH1A1
SCHEMBL6605334 0.77 CA12 (0.43) TDP1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL6962958 0.77 PTGS2 (0.45) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL9581272 0.76 ALDH1A1 (0.43) TDP1SFRP1POLBALDH1A1SMN1; SMN2
SCHEMBL5805217 0.76 CA2 (0.50) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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 11 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-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
US-5504104-A TREATING INFECTIONS OR DISEASES CAUSED BY RETROVIRUSES, SUCH AS HIV AND AIDS WARNER-LAMBERT COMPANY (US) 1996-04-02 US 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