Batimastat

Batimastat

SCHEMBL2777573

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C.CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP12MMP2MMP3MMP7MMP9

The experimentally established mechanism targets of Batimastat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 known ✓ P03956 14/20 0.80
MMP2 known ✓ P08253 8/20 0.80
MMP3 known ✓ P08254 6/20 0.80
MMP7 known ✓ P09237 4/20 0.80
MMP9 known ✓ P14780 4/20 0.80
MMP12 known ✓ P39900 1/20 0.53
FCER2 P06734 12/20 0.80
MMP8 P22894 4/20 0.80
ADAM17 P78536 3/20 0.80
MMP13 P45452 3/20 0.80
MMP14 P50281 3/20 0.80
MMP20 O60882 1/20 0.53
ADAMTS4 O75173 1/20 0.53
TNF P01375 1/20 0.53
MMP10 P09238 1/20 0.53
MMP15 P51511 1/20 0.53
MMP16 P51512 1/20 0.53
MMP25 Q9NPA2 1/20 0.53
MMP26 Q9NRE1 1/20 0.53
ADAMTS5 Q9UNA0 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
Batimastat SCHEMBL22803645 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL4332 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL12336015 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL4333 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL10052355 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL12561510 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL17521974 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL20793035 0.90 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
SCHEMBL8385113 0.87 ADAM17 (0.69) MMP1FCER2MMP2MMP3MMP7
SCHEMBL25602214 0.85 MMP1 (0.82) MMP1FCER2MMP2MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144604-A2 METHODS FOR THE TREATMENT OF LIVER DISEASES USING SPECIFIED MATRIX METALLOPROTEINASE (MMP) INHIBITORS Conatus Pharmaceuticals, Inc. (US) 2010-01-20 EP claimed
WO-2008106166-A2 METHODS FOR THE TREATMENT OF LIVER DISEASES USING SPECIFIED MATRIX METALLOPROTEINASE (MMP) INHIBITORS CONATUS PHARMACEUTICALS, INC. (US) 2008-09-04 WO claimed
WO-2008106167-A1 COMBINATION THERAPY COMPRISING MATRIX METALLOPROTEINASE INHIBITORS AND CASPASE INHIBITORS FOR THE TREATMENT OF LIVER DISEASES CONATUS PHARMACEUTICALS, INC. (US) 2008-09-04 WO claimed
WO-2021076712-A1 EARLY MANAGEMENT AND PREVENTION OF SEPSIS AND SEPSIS-LIKE SYNDROMES OPHIREX, INC. (US) 2021-04-22 WO disclosed
WO-2002080891-A1 USE OF A TNF INHIBITOR FOR THE TREATMENT OF LOW BACK PAIN A+ SCIENCE INVEST AB (SE) 2002-10-17 WO disclosed