SCHEMBL7448202

SCHEMBL7448202

COC(=O)C(CC#CCOc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.67
MMP13 P45452 10/20 0.67
MMP3 P08254 9/20 0.67
TDP1 Q9NUW8 1/20 0.44
MMP9 P14780 6/20 0.43
MMP1 P03956 1/20 0.41
LMNA P02545 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL7899829 0.93 MMP2 (0.74) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7456050 0.92 MMP2 (0.63) MMP2MMP13MMP3TDP1MMP9
SCHEMBL7455165 0.88 MMP13 (0.69) MMP2MMP13MMP3TDP1MMP9
SCHEMBL7454899 0.87 MMP2 (0.88) MMP2MMP13MMP3TDP1MMP9
SCHEMBL7449471 0.84 MMP2 (0.69) MMP2MMP13MMP3MMP9
SCHEMBL7454871 0.81 MMP2 (1.00) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7446562 0.80 MMP13 (0.74) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7451546 0.77 MMP2 (0.85) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7446824 0.76 MMP13 (0.70) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7555096 0.75 MMP2 (0.66) MMP2MMP13MMP3MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed