SCHEMBL7423746

SCHEMBL7423746

COC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.82
MMP13 P45452 18/20 0.82
MMP9 P14780 17/20 0.82
ADAM17 P78536 17/20 0.82
MMP8 P22894 2/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 1/20 0.46

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
SCHEMBL7421973 0.91 MMP1 (0.83) MMP1MMP13MMP9ADAM17MMP8
SCHEMBL6610602 0.91 MMP1 (0.84) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL6612234 0.88 MMP1 (0.72) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL7427908 0.88 MMP1 (0.81) MMP1MMP13MMP9ADAM17MMP8
SCHEMBL6614380 0.84 MMP1 (0.67) MMP1MMP13MMP9ADAM17
SCHEMBL8019447 0.84 MMP1 (0.86) MMP1MMP13MMP9ADAM17MMP8
SCHEMBL6612778 0.83 MMP1 (0.82) MMP1MMP13MMP9ADAM17MMP3
SCHEMBL6608973 0.83 MMP1 (0.64) MMP1MMP13MMP9ADAM17
SCHEMBL6609743 0.81 MMP1 (0.64) MMP1MMP13MMP9ADAM17
SCHEMBL6608737 0.81 MMP1 (0.64) MMP1MMP13MMP9ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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