SCHEMBL6238948

SCHEMBL6238948

COc1cccc(COc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C(=O)NO)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.62
MMP1 P03956 15/20 0.62
MMP9 P14780 9/20 0.57
MMP3 P08254 8/20 0.57
MMP13 P45452 3/20 0.53
MMP7 P09237 2/20 0.52
MMP2 P08253 1/20 0.52
MMP12 P39900 1/20 0.52
MMP14 P50281 1/20 0.52
MMP15 P51511 1/20 0.52
MMP16 P51512 1/20 0.52
MMP26 Q9NRE1 1/20 0.52

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
SCHEMBL7131801 1.00 ADAM17 (0.62) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL6239293 0.90 MMP1 (0.53) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL6240990 0.87 MMP1 (0.57) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL6236307 0.85 ADAM17 (0.66) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL7135979 0.85 ADAM17 (0.66) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL7131034 0.84 MMP1 (0.57) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL6240849 0.84 MMP1 (0.57) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL6239622 0.84 MMP1 (0.65) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL7138231 0.84 MMP1 (0.65) ADAM17MMP1MMP9MMP3MMP13
SCHEMBL6234233 0.84 ADAM17 (0.58) ADAM17MMP1MMP9MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP claimed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US claimed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP 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-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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 (3 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 ADAM17 184/4885MMP1 61/4885MMP9 165/4885
US-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 ADAM17 22/4885MMP1 18/4885MMP9 10/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ADAM17 19/4885MMP1 15/4885MMP9 6/4885

“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.