SCHEMBL6604718

SCHEMBL6604718

Cc1ccc(S(=O)(O)=S)c(Cc2ccc3c(c2)OCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6604723 0.78 ALDH1A1 (0.46) POLBATMSMN1; SMN2L3MBTL1MEN1
SCHEMBL6605222 0.77 MEN1 (0.45) POLBATMTDP1L3MBTL1MEN1
SCHEMBL7501965 0.75 POLB (0.30) POLBATM
SCHEMBL12709766 0.74 ALDH1A1 (0.58) POLBATMSMN1; SMN2TDP1L3MBTL1
SCHEMBL6604579 0.74 TAAR1 (0.40) POLBTDP1MEN1KMT2AGAA
SCHEMBL6603746 0.72 IDH1 (0.45) SMN1; SMN2L3MBTL1TP53ALDH1A1
SCHEMBL10592891 0.72 AMY1A (0.35) POLBATMTDP1L3MBTL1MEN1
SCHEMBL10590939 0.72 AMY1A (0.35) POLBATMTDP1L3MBTL1MEN1
SCHEMBL6609443 0.72 MAPT (0.42) TDP1KMT2AMAPTGAA
SCHEMBL6604226 0.70 TDP1 (0.43) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A

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 4 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-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