SCHEMBL7429708

SCHEMBL7429708

NC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(CCN2CCOCC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.79
MMP14 P50281 13/20 0.79
MMP13 P45452 12/20 0.79
MMP2 P08253 9/20 0.79
MMP3 P08254 10/20 0.60
MMP8 P22894 10/20 0.60
MMP1 P03956 6/20 0.59
MMP7 P09237 2/20 0.49
EPHX2 P34913 3/20 0.47
ADAM17 P78536 1/20 0.45

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
SCHEMBL5919254 0.88 MMP9 (1.00) MMP9MMP14MMP13MMP2MMP3
SCHEMBL7429722 0.80 MMP9 (0.72) MMP9MMP14MMP13MMP2MMP3
SCHEMBL6621747 0.79 MMP9 (0.63) MMP9MMP14MMP13MMP2MMP3
SCHEMBL6537294 0.77 MMP14 (0.79) MMP9MMP14MMP13MMP2MMP3
Hydrochloric Acid SCHEMBL6684352 0.77 MMP14 (0.78) MMP9MMP14MMP13MMP2MMP3
SCHEMBL7566235 0.76 MMP9 (0.78) MMP9MMP14MMP13MMP2MMP3
SCHEMBL5919210 0.76 MMP9 (0.83) MMP9MMP14MMP13MMP2MMP3
Hydrochloric Acid SCHEMBL6685477 0.76 MMP9 (0.77) MMP9MMP14MMP13MMP2MMP3
SCHEMBL5919060 0.75 MMP13 (0.77) MMP9MMP14MMP13MMP2MMP3
SCHEMBL5919523 0.75 MMP9 (1.00) MMP9MMP14MMP13MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed