SCHEMBL7216567

SCHEMBL7216567

COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](C(=O)O)C1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.80
ADAM17 P78536 3/20 0.80
PKM P14618 1/20 0.65
MMP3 P08254 11/20 0.56
MMP7 P09237 8/20 0.56
MMP13 P45452 8/20 0.56
MMP9 P14780 6/20 0.54
MMP2 P08253 2/20 0.54
MMP8 P22894 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HCRTR1 O43613 3/20 0.53
HCRTR2 O43614 3/20 0.53
CYP3A4 P08684 1/20 0.51

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
SCHEMBL6526779 0.89 MMP1 (0.64) MMP1ADAM17PKMMMP2
SCHEMBL6523181 0.89 MMP1 (0.64) MMP1ADAM17PKMMMP2
SCHEMBL8216398 0.89 MMP1 (0.64) MMP1ADAM17PKMMMP2
SCHEMBL7221169 0.87 MMP1 (0.74) MMP1ADAM17PKMMMP3MMP7
SCHEMBL6229896 0.84 MMP1 (0.69) MMP1ADAM17PKMMMP3MMP7
SCHEMBL7220742 0.82 MMP1 (0.69) MMP1ADAM17PKMMMP3MMP7
SCHEMBL7805720 0.82 CA12 (0.57) MMP1ADAM17MMP3MMP7MMP13
SCHEMBL2705860 0.81 MMP1 (0.67) MMP1MMP3MMP7MMP13MMP9
SCHEMBL2705855 0.81 MMP1 (0.67) MMP1MMP3MMP7MMP13MMP9
SCHEMBL2706480 0.81 MMP1 (0.67) MMP1MMP3MMP7MMP13MMP9

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
US-6599890-B1 Inhibitors of matrix metalloproteinases or the production of tumor necrosis factor PFIZER INC 2003-07-29 US disclosed
EP-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed