SCHEMBL5919366

SCHEMBL5919366

O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(O)cc3)cc2)CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 1.00
MMP2 P08253 15/20 1.00
MMP1 P03956 14/20 1.00
MMP14 P50281 13/20 1.00
MMP9 P14780 15/20 0.82
MMP8 P22894 10/20 0.82
MMP3 P08254 9/20 0.82
MMP7 P09237 1/20 0.80
ADAM17 P78536 2/20 0.66

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
SCHEMBL5919664 0.90 MMP13 (1.00) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919493 0.89 MMP13 (0.80) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919573 0.89 MMP13 (0.80) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919461 0.89 MMP1 (1.00) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919449 0.87 MMP13 (1.00) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919488 0.86 MMP13 (0.75) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919593 0.86 MMP1 (1.00) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919481 0.86 MMP13 (0.80) MMP13MMP2MMP1MMP14MMP9
SCHEMBL6464999 0.86 MMP13 (1.00) MMP13MMP2MMP1MMP14MMP9
SCHEMBL5919520 0.86 MMP13 (0.85) MMP13MMP2MMP1MMP14MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor BARTA THOMAS E 2006-04-20 US disclosed
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US disclosed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US disclosed
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-03-11 US disclosed
US-6541489-B1 Excellent inhibitory activity of one or more matrix metalloprotease (MMP) enzymes, such as MMP-2, MMP-9, and MMP-13, while exhibiting substantially less inhibition at least of MMP- 1 G. D. SEARLE & COMPANY 2003-04-01 US disclosed
US-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2002-11-28 US disclosed
EP-1230219-A1 AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. Searle & Co. (US) 2002-08-14 EP disclosed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US disclosed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US disclosed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP disclosed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO disclosed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP10 MMP13 1/4885MMP2 4/4885MMP1 5/4885
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP3 MMP13 1/4885MMP2 5/4885MMP1 4/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 MMP13 1/4885MMP2 4/4885MMP1 5/4885
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP1, MMP13 MMP13 3/4885MMP2 5/4885MMP1 2/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 MMP13 1/4885MMP2 4/4885MMP1 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.