SCHEMBL7425876

SCHEMBL7425876

COc1ccc(S(=O)(=O)N2Cc3ccccc3N(S(=O)(=O)c3ccccc3OC)CC2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.62
MMP9 P14780 13/20 0.62
MMP13 P45452 13/20 0.62
ADAM17 P78536 13/20 0.62
MAPT P10636 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL6614099 0.91 MMP1 (0.70) MMP1MMP9MMP13ADAM17TAS2R14
SCHEMBL6641084 0.87 MMP1 (0.66) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6616577 0.87 MMP1 (0.80) MMP1MMP9MMP13ADAM17TAS2R14
SCHEMBL6612558 0.83 MMP1 (0.62) MMP1MMP9MMP13ADAM17TAS2R14
SCHEMBL6611214 0.82 MMP1 (0.66) MMP1MMP9MMP13ADAM17
SCHEMBL6609838 0.82 MMP1 (0.72) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6614299 0.81 MMP1 (0.80) MMP1MMP9MMP13ADAM17TAS2R14
SCHEMBL6609170 0.80 MMP1 (0.82) MMP1MMP9MMP13ADAM17TAS2R14
SCHEMBL6608718 0.80 MMP1 (0.60) MMP1MMP9MMP13ADAM17TAS2R14
SCHEMBL6614482 0.79 MMP1 (0.64) MMP1MMP9MMP13ADAM17MAPT

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 claimed
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 claimed
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 claimed