SCHEMBL6684290

SCHEMBL6684290

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 16/20 0.62
MMP9 P14780 16/20 0.62
MMP13 P45452 15/20 0.62
MMP8 P22894 14/20 0.62
MMP2 P08253 13/20 0.62
MMP3 P08254 13/20 0.62
MMP1 P03956 9/20 0.57
MMP7 P09237 3/20 0.51
ADAMTS4 O75173 1/20 0.49
ADAM17 P78536 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49

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
SCHEMBL6686108 0.92 MMP14 (0.65) MMP14MMP9MMP13MMP8MMP2
SCHEMBL6685952 0.80 MMP13 (0.68) MMP14MMP9MMP13MMP8MMP2
SCHEMBL6688254 0.78 MMP13 (0.65) MMP14MMP9MMP13MMP8MMP2
SCHEMBL5919039 0.77 MMP13 (1.00) MMP14MMP9MMP13MMP8MMP2
SCHEMBL5919523 0.77 MMP9 (1.00) MMP14MMP9MMP13MMP8MMP2
Hydrochloric Acid SCHEMBL6466851 0.76 MMP13 (0.98) MMP14MMP9MMP13MMP8MMP2
SCHEMBL6685918 0.76 MMP13 (0.67) MMP14MMP9MMP13MMP8MMP2
SCHEMBL5919623 0.75 MMP9 (1.00) MMP14MMP9MMP13MMP8MMP2
SCHEMBL6684314 0.75 MMP13 (0.66) MMP14MMP9MMP13MMP8MMP2
SCHEMBL7422182 0.75 MMP3 (0.54) MMP14MMP9MMP13MMP8MMP2

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 MMP14 7/4885MMP9 1/4885MMP13 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.