SCHEMBL6603886

SCHEMBL6603886

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
SFRP1 Q8N474 1/20 0.40
LTB4R Q15722 2/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
CNR2 P34972 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
SCHEMBL6959651 0.97 KMT2A (0.42) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6604230 0.92 ALDH1A1 (0.41) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16684875 0.86 KMT2A (0.44) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6605223 0.84 TAS2R14 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6603882 0.83 TDP1 (0.43) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6959646 0.80 TDP1 (0.43) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9581272 0.80 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10886550 0.79 FFAR4 (0.38) TDP1ALDH1A1LMNA
SCHEMBL6605344 0.78 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6962964 0.78 PTGS2 (0.43) ALDH1A1KMT2ALMNAHPGDPOLB

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-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
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