SCHEMBL6863639

SCHEMBL6863639

CC1(C)[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)CC[S+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 19/20 0.56
▸ MMP3 P08254 15/20 0.56
▸ MMP2 P08253 15/20 0.56
▸ MMP13 P45452 14/20 0.56
▸ MMP7 P09237 12/20 0.56
▸ MMP9 P14780 9/20 0.56
▸ MMP14 P50281 2/20 0.56
▸ MMP8 P22894 8/20 0.55
▸ ADAM17 P78536 5/20 0.55

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
SCHEMBL6336327 0.91 MMP1 (0.56) MMP1MMP3MMP2MMP13MMP7
SCHEMBL6339420 0.90 MMP1 (0.68) MMP1MMP3MMP2MMP13MMP7
SCHEMBL6267902 0.89 MMP1 (0.67) MMP1MMP3MMP2MMP13MMP7
SCHEMBL6271303 0.88 MMP1 (0.55) MMP1MMP3MMP2MMP13MMP7
SCHEMBL7763224 0.88 MMP1 (0.55) MMP1MMP3MMP2MMP13MMP7
SCHEMBL7408195 0.86 MMP1 (0.43) MMP1MMP3MMP2MMP13MMP7
SCHEMBL6506286 0.82 ADAM17 (0.70) MMP1MMP3MMP2MMP13MMP9
SCHEMBL6499220 0.82 ADAM17 (0.70) MMP1MMP3MMP2MMP13MMP9
SCHEMBL6336108 0.80 MMP1 (0.85) MMP1MMP3MMP2MMP13MMP7
SCHEMBL6276978 0.79 MMP1 (0.55) MMP1MMP3MMP2MMP13MMP7

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-1095936-B1 Intermediates useful for the preparation of metallproteinase inhibitors AGOURON PHARMA (US) 2004-11-24 — — EP disclosed
EP-1095936-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2001-05-02 — — EP disclosed
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