SCHEMBL5892954

SCHEMBL5892954

C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3F)cc2)[C@H]1C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 1.00
ADAM17 P78536 10/20 1.00
ADAMTS4 O75173 1/20 0.85
TNF P01375 1/20 0.85
MMP2 P08253 1/20 0.85
MMP3 P08254 1/20 0.85
MMP9 P14780 1/20 0.85
MMP8 P22894 1/20 0.85
MMP13 P45452 1/20 0.85
MMP14 P50281 1/20 0.85
ADAMTS1 Q9UHI8 1/20 0.85
ADAMTS5 Q9UNA0 1/20 0.85

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
SCHEMBL5892700 1.00 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL138144 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL138143 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL25833 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL5892718 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL26484 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL136239 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL5892767 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL136238 0.92 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL5892626 0.91 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081137-A1 Selective inhibitors of aggrecanase in osteoarthritis treatment Pfizer Products Inc. (US) 2001-03-07 EP claimed
US-7030242-B2 Selective inhibition of aggrecanase in osteoarthritis treatment PFIZER INC (US) 2006-04-18 US disclosed
US-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction NOE MARK C 2005-10-13 US disclosed
EP-1487457-A1 COMBINATION OF AN IL-1/18 INHIBITOR WITH A TNF INHIBITOR FOR THE TREATMENT OF INFLAMMATION Pfizer Products Inc. (US) 2004-12-22 EP disclosed
US-20030143230-A1 Combination of an IL-1/18 inhibitor with a TNF inhibitor for the treatment of inflammation PFIZER INC. 2003-07-31 US disclosed
WO-2003045400-A1 COMBINATION OF AN IL-1/18 INHIBITOR WITH A TNF INHIBITOR FOR THE TREATMENT OF INFLAMMATION PFIZER PRODUCTS INC. (US) 2003-06-05 WO disclosed
EP-1081137-A1 Selective inhibitors of aggrecanase in osteoarthritis treatment Pfizer Products Inc. (US) 2001-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030143230-A1 Combination of an IL-1/18 inhibitor with a TNF inhibitor for the treatment of inflammation IL1A, IL1B, IL18 MMP1 61/4885ADAM17 184/4885ADAMTS4 440/4885
US-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction MMP3, MMP1, MMP13 MMP1 2/4885ADAM17 18/4885ADAMTS4 35/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.