SCHEMBL8002019

SCHEMBL8002019

O=CN(O)C1(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCS(=O)(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.54
MMP2 P08253 19/20 0.54
MMP1 P03956 9/20 0.51
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL8001943 0.92 MMP9 (0.58) MMP9MMP2MMP1MMP3MMP7
SCHEMBL8000265 0.87 MMP9 (0.55) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7990305 0.84 MMP9 (0.62) MMP9MMP2MMP1MMP3MMP7
SCHEMBL8000271 0.83 MMP9 (0.58) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7999199 0.83 MMP9 (0.52) MMP9MMP2MMP1MMP3MMP7
SCHEMBL8000234 0.82 MMP9 (0.55) MMP9MMP2MMP1MMP3MMP7
SCHEMBL8001762 0.81 MMP9 (0.56) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7990310 0.81 MMP9 (0.53) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7990017 0.80 MMP9 (0.48) MMP9MMP2MMP1MMP3MMP7
SCHEMBL4638907 0.72 MMP1 (0.59) MMP9MMP2MMP1MMP3MMP7

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
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US claimed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed