SCHEMBL4079436

SCHEMBL4079436

COc1cccc(CN([C@H](C)C(=O)NO)S(=O)(=O)c2ccc(OCCCCF)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 14/20 0.62
MMP2 P08253 5/20 0.59
MMP9 P14780 5/20 0.59
MMP8 P22894 5/20 0.59
MMP13 P45452 4/20 0.59
MMP1 P03956 1/20 0.51

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
SCHEMBL4079440 1.00 BMP1 (0.62) BMP1MMP2MMP9MMP8MMP13
SCHEMBL2860679 0.97 BMP1 (0.64) BMP1MMP2MMP9MMP8MMP13
SCHEMBL2860686 0.97 BMP1 (0.64) BMP1MMP2MMP9MMP8MMP13
SCHEMBL2855090 0.92 MMP2 (0.71) MMP2MMP9MMP8MMP13
SCHEMBL2855092 0.92 MMP2 (0.71) MMP2MMP9MMP8MMP13
SCHEMBL2860130 0.91 BMP1 (0.62) BMP1MMP2MMP9MMP8MMP13
SCHEMBL2860128 0.91 BMP1 (0.62) BMP1MMP2MMP9MMP8MMP13
SCHEMBL4071426 0.90 BMP1 (0.71) BMP1MMP2MMP9MMP8MMP13
SCHEMBL4071435 0.90 BMP1 (0.71) BMP1MMP2MMP9MMP8MMP13
SCHEMBL2854368 0.90 MMP2 (0.56) BMP1MMP2MMP9MMP8MMP13

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-2085379-A1 Arylsulfonamido-substituted hydroxamic acid derivatives Novartis AG (CH) 2009-08-05 EP claimed
EP-1202961-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES Novartis AG (CH) 2002-05-08 EP claimed
WO-2001010827-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-02-15 WO claimed
EP-2085379-A1 Arylsulfonamido-substituted hydroxamic acid derivatives Novartis AG (CH) 2009-08-05 EP disclosed