SCHEMBL6686560

SCHEMBL6686560

O=C(Nc1ccccc1)C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.77
MMP2 P08253 17/20 0.77
MMP9 P14780 9/20 0.72
MMP3 P08254 5/20 0.72
MMP8 P22894 5/20 0.72
MMP1 P03956 5/20 0.72
MMP14 P50281 5/20 0.72
ME3 Q16798 1/20 0.53
MMP7 P09237 1/20 0.52

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
SCHEMBL6685968 0.88 MMP13 (0.73) MMP13MMP2MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL6687154 0.83 MMP13 (0.98) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6687099 0.81 MMP13 (1.00) MMP13MMP2MMP9MMP3MMP8
SCHEMBL7426797 0.77 MMP2 (0.57) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5919266 0.77 MMP13 (0.77) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5919610 0.77 MMP13 (0.73) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5919194 0.75 MMP2 (1.00) MMP13MMP2MMP9MMP3MMP8
SCHEMBL5919539 0.75 MMP13 (0.73) MMP13MMP2MMP9MMP3MMP8
SCHEMBL6690406 0.74 MMP13 (0.80) MMP13MMP2MMP9MMP3MMP8
SCHEMBL7434762 0.73 MMP2 (0.55) MMP13MMP2MMP9MMP3MMP8

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 2 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-6750228-B1 UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BY METALLOPROTEASES IS A FEATURE OF MANY PATHOLOGICAL CONDITIONS PHARMACIA CORPORATION 2004-06-15 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 (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-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP13, MMP2 MMP13 2/4885MMP2 3/4885MMP9 1/4885

“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.