SCHEMBL8763301

SCHEMBL8763301

O=S(=O)(CS(=O)(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
ACP1 P24666 1/20 0.37
MAPT P10636 3/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.34
IDO1 P14902 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL8763360 0.82 CA1 (0.53) CES2CA1CA2MMP1MMP2
SCHEMBL8764344 0.81 MMP1 (0.49) MAPTCA1CA2MMP1KMT2A
SCHEMBL13063654 0.78 CES2 (0.45) CES2L3MBTL1ACP1MAPTCA1
SCHEMBL8764348 0.77 SOD1 (0.41) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1148973 0.76 CES2 (0.43) CES2L3MBTL1ACP1MAPTCA1
SCHEMBL8764978 0.74 RECQL (0.46) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL8764400 0.72 PSIP1 (0.50) CA1CA2LMNAPOLBKMT2A
SCHEMBL3507443 0.72 CES2 (0.52) CES2L3MBTL1ACP1MAPTCA1
SCHEMBL4591973 0.72 L3MBTL1 (0.50) CES2L3MBTL1ACP1MAPTCA1
SCHEMBL13018927 0.72 HSD11B1 (0.40) CES2L3MBTL1ACP1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606756-B1 Use of disulfonyl methanes for the control of parasites LILLY CO ELI (US) 1997-07-23 EP disclosed
US-5637603-A FORMULATION WHICH PROTECTS VERTEBRATE ANIMALS AGAINST PARASITES ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5614525-A ANTHELMINTICS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5596122-A INSECTICIDES AND LARVICIDES ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed
US-5449681-A Administering by mouth or injection; anthelmintics, insecticides ELI LILLY AND COMPANY (US) 1995-09-12 US disclosed
EP-0606756-A1 Use of disulfonyl methanes for the control of parasites ELI LILLY AND COMPANY (US) 1994-07-20 EP disclosed