SCHEMBL8000272

SCHEMBL8000272

CS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)(C(=O)NO)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.65
ADAM17 P78536 10/20 0.65
MMP14 P50281 9/20 0.65
MMP13 P45452 15/20 0.57
MMP9 P14780 7/20 0.56
MMP1 P03956 8/20 0.55
MMP3 P08254 5/20 0.55
MMP8 P22894 5/20 0.55
MMP7 P09237 3/20 0.53
ABCB11 O95342 1/20 0.53
MMP10 P09238 1/20 0.53

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
SCHEMBL8001945 0.87 MMP14 (0.60) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL8000267 0.84 MMP13 (0.75) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL7990308 0.81 MMP1 (0.59) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL8000271 0.78 MMP9 (0.58) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7990314 0.77 MMP9 (0.52) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL13898951 0.77 MMP2 (0.64) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL7301851 0.76 MMP13 (0.73) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL7990287 0.75 MMP9 (0.66) MMP2MMP14MMP13MMP9MMP1
SCHEMBL7307938 0.75 MMP13 (0.70) MMP2ADAM17MMP14MMP13MMP9
SCHEMBL8000893 0.74 MMP9 (0.59) MMP2MMP14MMP13MMP9MMP1

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