SCHEMBL7074307

SCHEMBL7074307

O=C(Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(OC(F)F)cc2)CC1)NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.44
MMP2 P08253 4/20 0.44
MMP3 P08254 4/20 0.44
MMP9 P14780 4/20 0.44
MMP8 P22894 4/20 0.44
MMP12 P39900 4/20 0.44
MMP13 P45452 4/20 0.44
MMP14 P50281 4/20 0.44
MMP16 P51512 4/20 0.44
ADAM17 P78536 1/20 0.44
PTGDR Q13258 2/20 0.41
CHRM4 P08173 1/20 0.40
MAPT P10636 3/20 0.40
GCK P35557 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL7072501 0.89 PTGDR (0.52) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7076689 0.83 MAPT (0.49) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7077191 0.82 MMP2 (0.54) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7078009 0.81 ALDH1A1 (0.40) PTGDRMAPTGCKALDH1A1ALOX15
SCHEMBL7072133 0.79 MCL1 (0.50) PTGDRCHRM4MAPTGCKALDH1A1
SCHEMBL7074119 0.79 HDAC3 (0.46) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7079825 0.78 MAPT (0.48) MAPTALDH1A1ALOX15LMNASMN1; SMN2
SCHEMBL7072493 0.76 TP53 (0.43) MMP1MMP9MMP13ADAM17CHRM4
SCHEMBL7072805 0.74 ALDH1A1 (0.56) MMP1MAPTHDAC3HDAC4HDAC1
SCHEMBL7072152 0.72 MAPT (0.42) PTGDRCHRM4MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed