SCHEMBL6691880

SCHEMBL6691880

COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4cccc(OC(F)(F)F)c4)CC3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.77
MMP9 P14780 12/20 0.77
MMP1 P03956 11/20 0.77
MMP2 P08253 10/20 0.77
MMP14 P50281 10/20 0.77
MMP3 P08254 6/20 0.77
MMP8 P22894 6/20 0.77
MMP7 P09237 4/20 0.62
ADAM17 P78536 2/20 0.49
F10 P00742 1/20 0.46

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
SCHEMBL6685529 0.92 MMP13 (0.79) MMP13MMP9MMP1MMP2MMP14
Hydrochloric Acid SCHEMBL6687154 0.87 MMP13 (0.98) MMP13MMP9MMP1MMP2MMP14
SCHEMBL7424411 0.80 MMP2 (0.49) MMP13MMP9MMP1MMP2MMP14
SCHEMBL7424416 0.79 MMP1 (0.48) MMP13MMP9MMP1MMP2MMP14
SCHEMBL6690406 0.79 MMP13 (0.80) MMP13MMP9MMP1MMP2MMP14
SCHEMBL6683502 0.78 MMP13 (0.76) MMP13MMP9MMP1MMP2MMP14
SCHEMBL5919458 0.78 MMP9 (0.86) MMP13MMP9MMP1MMP2MMP14
SCHEMBL5919470 0.78 MMP14 (1.00) MMP13MMP9MMP1MMP2MMP14
Hydrochloric Acid SCHEMBL6461484 0.77 MMP14 (0.98) MMP13MMP9MMP1MMP2MMP14
SCHEMBL6683801 0.76 MMP13 (0.75) MMP13MMP9MMP1MMP2MMP14

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 2/4885MMP9 1/4885MMP1 6/4885

“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.