SCHEMBL7213020

SCHEMBL7213020

O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCCOC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.78
MMP13 P45452 15/20 0.78
ADAM17 P78536 6/20 0.55
MMP9 P14780 2/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP2 P08253 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS5 Q9UNA0 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
SCHEMBL7208623 0.94 MMP1 (0.88) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7208103 0.91 MMP1 (0.80) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL6946809 0.88 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7213003 0.87 MMP1 (0.82) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7209175 0.85 MMP1 (0.89) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7212966 0.83 MMP1 (0.79) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7208142 0.80 MMP1 (0.87) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7213038 0.80 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7208082 0.80 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14
SCHEMBL24550 0.80 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181286-B1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-11-12 EP disclosed
EP-1181286-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2002-02-27 EP disclosed
US-6197810-B1 ANTIARTHRITIC AGENTS; ANTICANCE RAGENTS; ANTIINFLAMMATORY AGENTS PFIZER INC 2001-03-06 US disclosed
WO-2000073295-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO disclosed