SCHEMBL6609938

SCHEMBL6609938

C=C(C(=O)OC)N(Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
CXCR3 P49682 3/20 0.47
F10 P00742 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TAS2R14 Q9NYV8 5/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
PTGES O14684 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KEAP1 Q14145 1/20 0.44
HDAC2 Q92769 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL5656436 0.94 LMNA (0.48) MAPTLMNACXCR3F10KDM4E
SCHEMBL6610090 0.89 SNCA (0.47) MAPTLMNACXCR3F10KDM4E
SCHEMBL6611082 0.86 LMNA (0.42) MAPTLMNACXCR3F10KDM4E
SCHEMBL5656058 0.86 POLB (0.48) MAPTCXCR3KDM4ETAS2R14PTGES
SCHEMBL6613518 0.85 ALDH1A1 (0.47) MAPTLMNACXCR3KDM4ETAS2R14
SCHEMBL6608937 0.85 MEN1 (0.47) MAPTLMNAKDM4ETAS2R14HDAC3
SCHEMBL6610253 0.85 ABCB1 (0.51) MAPTLMNACXCR3KDM4ENPC1
SCHEMBL6612494 0.85 TAS2R14 (0.46) MAPTLMNAKDM4ETAS2R14NPC1
SCHEMBL7390326 0.85 PTGES (0.43) MAPTLMNACXCR3KDM4ETAS2R14
SCHEMBL6610841 0.84 KEAP1 (0.48) CXCR3KDM4ETAS2R14PTGESTAS2R8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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