SCHEMBL6774654

SCHEMBL6774654

COC(=O)C(CC1CO1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.53
MMP9 P14780 14/20 0.53
MMP3 P08254 12/20 0.53
MMP13 P45452 12/20 0.53
MMP1 P03956 11/20 0.53
MMP7 P09237 10/20 0.53
MMP14 P50281 1/20 0.47

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
SCHEMBL6769905 0.91 MMP2 (0.53) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6768565 0.89 MMP2 (0.53) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6779702 0.89 MMP2 (0.52) MMP2MMP9MMP3MMP13MMP1
SCHEMBL5635765 0.82 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6768748 0.79 MMP2 (0.57) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7945709 0.78 MMP2 (0.54) MMP2MMP9MMP3MMP13MMP1
SCHEMBL14191410 0.77 RECQL (0.63) MMP2MMP9MMP3MMP13MMP1
SCHEMBL14191408 0.75 MMP2 (0.74) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6772209 0.70 ADAMTS4 (0.53) MMP2MMP9MMP3MMP13MMP1
SCHEMBL15943338 0.69 MMP2 (0.75) MMP2MMP9MMP3MMP13MMP1

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
US-6762198-B2 SUCH AS 2-((4'-METHOXY-(1,1'-BIPHENYL)-4-YL)-SULFONYL)-AMINO-3-(2-PHENOXYMETHYL -(1,3)DIOXAN-2-YL)PROPIONIC ACID THE PROCTER & GAMBLE COMPANY 2004-07-13 US disclosed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US disclosed
EP-1165530-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051993-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed