SCHEMBL6239622

SCHEMBL6239622

C[C@@H]1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@@H](C(=O)NO)[C@@H](C)O1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.65
ADAM17 P78536 11/20 0.65
MMP13 P45452 6/20 0.65
MMP3 P08254 3/20 0.58
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 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
SCHEMBL6427714 1.00 MMP1 (0.65) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6427715 1.00 MMP1 (0.65) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6237207 1.00 MMP1 (0.65) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7138231 1.00 MMP1 (0.65) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6241360 1.00 MMP1 (0.65) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6236307 0.92 ADAM17 (0.66) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7135979 0.92 ADAM17 (0.66) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7072301 0.91 MMP1 (0.63) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7128059 0.91 MMP1 (0.63) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6244950 0.91 MMP1 (0.63) MMP1ADAM17MMP13MMP3MMP9

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
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP claimed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO claimed
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

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 184/4885MMP13 317/4885
US-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 MMP1 18/4885ADAM17 22/4885MMP13 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.