SCHEMBL6764610

SCHEMBL6764610

O=C(NO)[C@H](O)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.70
MMP1 P03956 6/20 0.65
MMP2 P08253 9/20 0.60
MMP9 P14780 3/20 0.60
MMP3 P08254 1/20 0.54
MMP7 P09237 1/20 0.54
ADAMTS4 O75173 1/20 0.52
MMP14 P50281 1/20 0.52
MEP1B Q16820 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
ADAM17 P78536 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
SCHEMBL6764875 1.00 MMP13 (0.70) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6764872 1.00 MMP13 (0.70) MMP13MMP1MMP2MMP9MMP3
SCHEMBL4700302 0.88 MMP13 (0.55) MMP13MMP1MMP2MMP9ADAM17
SCHEMBL7684276 0.86 MMP1 (0.64) MMP13MMP1MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7301531 0.84 MMP13 (0.67) MMP13MMP1MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7301537 0.84 MMP13 (0.67) MMP13MMP1MMP2MMP9MMP3
SCHEMBL8441721 0.83 MMP1 (0.57) MMP13MMP1MMP2MMP9MMP7
SCHEMBL6764587 0.83 MMP1 (0.57) MMP13MMP1MMP2MMP9MMP7
SCHEMBL7182155 0.82 MMP13 (1.00) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7301867 0.82 MMP13 (0.80) MMP13MMP1MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716844-B2 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS PHARMACIA CORPORATION 2004-04-06 US disclosed
EP-0984959-B1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2003-09-24 EP disclosed
US-20020173508-A1 Aromatic sulfonyl alpha-hydroxy hydroxamic acid compounds PHARMACIA CORPORATION 2002-11-21 US disclosed
US-6362183-B1 PROTEASE INHIBITORS; RHEUMATIC DISEASES; ANTITUMOR AGENTS G. D. SEARLE & COMPANY 2002-03-26 US disclosed
EP-0984959-A4 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO CO (US) 2001-05-02 EP disclosed
EP-0984959-A1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-15 EP disclosed
WO-1998039326-A1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 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 (1 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-20020173508-A1 Aromatic sulfonyl alpha-hydroxy hydroxamic acid compounds MMP1, MMP2, MMP3 MMP13 9/4885MMP1 1/4885MMP2 2/4885

“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.