SCHEMBL6097984

SCHEMBL6097984

O=C(O)C1CCN(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.55
MMP2 P08253 1/20 0.55
FPR2 P25090 2/20 0.54
PROKR1 Q8TCW9 2/20 0.54
LIPE Q05469 1/20 0.50
EPHX2 P34913 8/20 0.49
FAAH O00519 2/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49
FFAR4 Q5NUL3 2/20 0.47
NOTUM Q6P988 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6095121 0.86 MMP13 (0.48) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL6690842 0.85 FPR2 (0.58) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6518095 0.83 TSHR (0.59) LIPEEPHX2FFAR4SMN1; SMN2ALDH1A1
SCHEMBL6095113 0.82 MMP13 (0.51) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL6094119 0.81 MMP13 (0.57) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL6098585 0.79 FPR2 (0.64) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6397014 0.79 MMP13 (0.53) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL6097817 0.78 EPHX2 (0.56) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL6692336 0.76 MMP13 (0.51) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL6095581 0.75 MMP13 (0.60) MMP13MMP2FPR2PROKR1EPHX2

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-7067670-B2 Sulfamato hydroxamic acid metalloprotease inhibitor WARNER LAMBERT COMPANY (US) 2006-06-27 US disclosed
US-6800646-B1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-10-05 US disclosed
US-6492367-B1 Sulfamato hydroxamic acid metalloprotease inhibitor G. D. SEARLE & COMPANY 2002-12-10 US disclosed
US-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed
EP-1157021-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
WO-2000046221-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-10 WO disclosed