SCHEMBL6971622

SCHEMBL6971622

Cc1cc(C2CCN(S(=O)(=O)[C@@]3(C(=O)O)C[C@@H]4OC(C)(C)O[C@@H]4C3)CC2)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
THRB P10828 3/20 0.33
TP53 P04637 3/20 0.33
MMP3 P08254 5/20 0.33
MMP2 P08253 4/20 0.33
GFER P55789 1/20 0.33
HTR6 P50406 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
USP5 P45974 1/20 0.32
DRD3 P35462 1/20 0.32
PTGDR Q13258 1/20 0.31

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
SCHEMBL7202506 1.00 MAPT (0.35) MAPTKMT2AABL1RIN1THRB
SCHEMBL6963988 1.00 MAPT (0.35) MAPTKMT2AABL1RIN1THRB
SCHEMBL6963993 1.00 MAPT (0.35) MAPTKMT2AABL1RIN1THRB
SCHEMBL6436433 0.90 MMP3 (0.35) MAPTKMT2AABL1RIN1THRB
SCHEMBL6437442 0.90 MMP3 (0.35) MAPTKMT2AABL1RIN1THRB
SCHEMBL6966717 0.87 MAPT (0.36) MAPTKMT2ATHRBTP53MMP3
SCHEMBL6966720 0.87 MAPT (0.36) MAPTKMT2ATHRBTP53MMP3
SCHEMBL6966714 0.87 MAPT (0.36) MAPTKMT2ATHRBTP53MMP3
SCHEMBL7204028 0.83 MAPT (0.38) MAPTKMT2ATHRBTP53MMP3
SCHEMBL6434211 0.80 MMP2 (0.48) MMP3MMP2MMP1MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP disclosed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US disclosed
EP-1181017-A1 METALLOPROTEASE INHIBITORS Pfizer Limited (GB) 2002-02-27 EP disclosed
WO-2000074681-A1 METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 2000-12-14 WO disclosed