SCHEMBL6626569

SCHEMBL6626569

COc1ccc(S(=O)(=O)CC(I)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MMP13 P45452 6/20 0.55
MMP1 P03956 5/20 0.55
HSD11B1 P28845 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP8 P22894 2/20 0.46
LDHA P00338 1/20 0.46
PKM P14618 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 1/20 0.45
MMP9 P14780 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6378307 0.84 HTT (0.59) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL8521710 0.83 HTT (0.58) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7075250 0.81 MMP13 (0.59) HTTNPSR1MMP13MMP1HSD11B1
Hydrochloric Acid SCHEMBL7207769 0.80 HTT (0.55) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7077694 0.78 MMP13 (0.63) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7869955 0.78 MMP13 (0.60) HTTNPSR1MMP13MMP1MEN1
SCHEMBL7077429 0.78 HTT (0.52) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7207704 0.77 MMP13 (0.66) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7207701 0.77 MMP13 (0.66) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7400878 0.77 MMP13 (0.66) HTTNPSR1MMP13MMP1HSD11B1

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-0950059-B1 CYCLIC SULFONE DERIVATIVES PFIZER (US) 2004-08-04 EP disclosed
US-6077864-A USEFUL IN THE TREATMENT OF ARTHRITIS, CANCER, TISSUE ULCERATION, MACULAR DEGENERATION, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS PFIZER INC. (US) 2000-06-20 US disclosed
EP-0950059-A1 CYCLIC SULFONE DERIVATIVES PFIZER INC. (US) 1999-10-20 EP disclosed
WO-1998030566-A1 CYCLIC SULFONE DERIVATIVES PFIZER INC. (US) 1998-07-16 WO disclosed