SCHEMBL8601705

SCHEMBL8601705

COc1ccc(S(=O)(=O)C[C@@H](O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
HSD11B1 P28845 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MMP2 P08253 2/20 0.47
MMP3 P08254 2/20 0.47
MMP1 P03956 4/20 0.47
MMP9 P14780 1/20 0.47
LMNA P02545 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL8601707 1.00 MMP13 (0.49) MMP13CA1CA2ACHEHSD11B1
SCHEMBL7862144 0.86 MMP13 (0.48) MMP13CA1CA2ACHEHSD11B1
Hydrochloric Acid SCHEMBL7862140 0.85 MMP13 (0.47) MMP13CA1CA2ACHEHSD11B1
SCHEMBL8440143 0.83 NPC1 (0.55) MMP13CA1CA2ACHEHSD11B1
SCHEMBL7869903 0.83 MMP13 (0.57) MMP13CA1CA2ACHEMMP2
SCHEMBL8521710 0.81 HTT (0.58) MMP13HSD11B1HTTNPSR1MMP2
SCHEMBL27410647 0.80 LDHA (0.55) CA1CA2ACHEALDH1A1ATM
SCHEMBL6381667 0.79 NPC1 (0.56) MMP13CA1CA2ACHEHSD11B1
SCHEMBL7868834 0.78 MMP13 (0.61) MMP13CA1CA2ACHEATM
SCHEMBL7874114 0.77 MMP13 (0.57) MMP13CA1CA2ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966438-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998034915-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1998-08-13 WO disclosed