SCHEMBL7998643

SCHEMBL7998643

O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 1.00
MMP2 P08253 17/20 1.00
MMP1 P03956 8/20 1.00
MMP3 P08254 2/20 0.65
MMP13 P45452 2/20 0.65
MMP7 P09237 1/20 0.65
MMP8 P22894 1/20 0.65
ADAM17 P78536 1/20 0.57
MMP17 Q9ULZ9 1/20 0.57

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
SCHEMBL8005436 0.89 MMP9 (0.79) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7990109 0.86 MMP9 (0.75) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7673436 0.86 MMP9 (0.75) MMP9MMP2MMP1MMP3MMP13
SCHEMBL8000588 0.81 MMP9 (0.72) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7598893 0.81 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7435168 0.81 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7990309 0.81 MMP2 (0.79) MMP9MMP2MMP1
SCHEMBL7998645 0.79 MMP9 (0.66) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7990003 0.79 MMP9 (0.65) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7594373 0.79 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP13

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