SCHEMBL6690639

SCHEMBL6690639

C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.61
MMP2 P08253 17/20 0.61
ADAM17 P78536 1/20 0.53
MMP3 P08254 2/20 0.53
MMP8 P22894 1/20 0.53

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
SCHEMBL6622381 1.00 MMP13 (0.61) MMP13MMP2ADAM17MMP3MMP8
SCHEMBL6621024 0.88 MMP13 (0.67) MMP13MMP2MMP3MMP8
SCHEMBL10021359 0.85 MMP13 (0.82) MMP13MMP2MMP3
SCHEMBL6623823 0.85 MMP13 (0.67) MMP13MMP2MMP3MMP8
SCHEMBL6621824 0.85 MMP13 (0.72) MMP13MMP2MMP3MMP8
SCHEMBL6683494 0.85 MMP13 (0.72) MMP13MMP2MMP3MMP8
SCHEMBL6687895 0.83 MMP13 (0.84) MMP13MMP2MMP3MMP8
SCHEMBL5919696 0.73 MMP13 (0.69) MMP13MMP2ADAM17MMP3MMP8
SCHEMBL6621337 0.73 MMP13 (0.54) MMP13MMP2MMP3
SCHEMBL10021361 0.72 MMP13 (0.72) MMP13MMP2ADAM17MMP3MMP8

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
US-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-11-25 US disclosed
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2004-10-21 US disclosed
US-6750228-B1 UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BY METALLOPROTEASES IS A FEATURE OF MANY PATHOLOGICAL CONDITIONS PHARMACIA CORPORATION 2004-06-15 US disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
US-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2003-04-17 US 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 (3 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-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP13, MMP2 MMP13 2/4885MMP2 3/4885ADAM17 28/4885
US-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 MMP13 7/4885MMP2 10/4885ADAM17 27/4885
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 MMP13 7/4885MMP2 10/4885ADAM17 27/4885

“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.