SCHEMBL6236825

SCHEMBL6236825

Cc1ccc(C)c(COc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C(=O)NO)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.61
MMP13 P45452 14/20 0.56
MMP1 P03956 14/20 0.56

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
SCHEMBL7131939 1.00 ADAM17 (0.61) ADAM17MMP13MMP1
SCHEMBL7129382 0.91 MMP1 (0.68) ADAM17MMP13MMP1
SCHEMBL6237634 0.91 MMP1 (0.68) ADAM17MMP13MMP1
SCHEMBL6238495 0.90 ADAM17 (0.71) ADAM17MMP13MMP1
SCHEMBL6237731 0.90 ADAM17 (0.50) ADAM17MMP13MMP1
SCHEMBL6237728 0.90 ADAM17 (0.50) ADAM17MMP13MMP1
SCHEMBL6238120 0.86 ADAM17 (0.51) ADAM17MMP13MMP1
SCHEMBL7132112 0.84 ADAM17 (0.61) ADAM17MMP13MMP1
SCHEMBL6236655 0.84 ADAM17 (0.61) ADAM17MMP13MMP1
SCHEMBL6237689 0.84 ADAM17 (0.67) ADAM17MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US claimed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP 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-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US 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 184/4885MMP13 317/4885MMP1 61/4885
US-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 ADAM17 22/4885MMP13 35/4885MMP1 18/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ADAM17 19/4885MMP13 34/4885MMP1 15/4885

“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.