SCHEMBL5654237

SCHEMBL5654237

COC(=O)C(CO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.69
MMP2 P08253 2/20 0.69
MMP9 P14780 2/20 0.69
MMP8 P22894 2/20 0.69
MMP13 P45452 2/20 0.69
CA2 P00918 1/20 0.62
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 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
SCHEMBL6611402 0.91 MMP1 (0.68) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8021638 0.90 MMP1 (0.57) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7390378 0.89 MMP1 (0.56) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6608519 0.88 MMP1 (0.55) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6616241 0.87 MMP1 (0.54) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6608022 0.87 MMP1 (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5655796 0.85 KEAP1 (0.56) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7222146 0.82 MMP1 (0.80) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6613444 0.82 KEAP1 (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6609503 0.80 BMP1 (0.52) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282496-B2 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-16 US disclosed
US-7282496-B2 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-16 US disclosed
US-7282496-B2 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-16 US disclosed
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
EP-1440057-A1 ALLENIC ARYL SULFONAMIDE HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS Wyeth Holdings Corporation (US) 2004-07-28 EP disclosed
US-20030130238-A1 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2003-07-10 US disclosed
US-20030130238-A1 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2003-07-10 US disclosed
US-20030130238-A1 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2003-07-10 US disclosed
WO-2003037852-A1 ALLENIC ARYL SULFONAMIDE HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH HOLDINGS CORPORATION (US) 2003-05-08 WO disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 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 (1 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-20030130238-A1 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and tace inhibitors MMP12, MMP1, SI MMP1 2/4885MMP2 34/4885MMP9 40/4885

“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.