SCHEMBL6869740

SCHEMBL6869740

O=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.77
MMP13 P45452 17/20 0.77
MMP2 P08253 2/20 0.62
MMP3 P08254 2/20 0.62
MMP9 P14780 2/20 0.62
MMP8 P22894 2/20 0.62
MMP12 P39900 1/20 0.62
MMP14 P50281 1/20 0.62
USP2 O75604 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL27415619 0.95 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7067073 0.90 USP2 (0.67) MMP1MMP13MMP2MMP3MMP9
SCHEMBL2575324 0.89 MMP1 (0.79) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7066448 0.88 MMP13 (0.62) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6964194 0.87 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7209156 0.87 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7208072 0.87 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
Hydroxyamine SCHEMBL5914587 0.87 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6958565 0.86 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL16013385 0.86 MMP1 (0.62) MMP1MMP13MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068180-B1 PROCESS FOR ALKYLATING HINDERED SULFONAMIDES USEFUL IN THE PRODUCTION OF MATRIX METALLOPROTENASE INHIBITORS PFIZER PROD INC (US) 2004-12-15 EP disclosed
CN-1296474-A Alkylation of hindered sulfonamides for the preparation of matrix metalloproteinase inhibitors PFIZER PROD INC (US) 2001-05-23 CN disclosed
EP-1068180-A1 PROCESS FOR ALKYLATING HINDERED SULFONAMIDES USEFUL IN THE PRODUCTION OF MATRIX METALLOPROTENASE INHIBITORS Pfizer Products Inc. (US) 2001-01-17 EP disclosed
US-6114568-A Process for alkylating hindered sulfonamides useful in the production of matrix metalloproteinase inhibitors PFIZER INC. (US) 2000-09-05 US disclosed
WO-1999052862-A1 PROCESS FOR ALKYLATING HINDERED SULFONAMIDES USEFUL IN THE PRODUCTION OF MATRIX METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed