SCHEMBL6685529

SCHEMBL6685529

COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.79
MMP2 P08253 12/20 0.79
MMP9 P14780 12/20 0.79
MMP14 P50281 11/20 0.79
MMP8 P22894 10/20 0.79
MMP1 P03956 10/20 0.79
MMP3 P08254 8/20 0.79
MMP7 P09237 4/20 0.70
ADAM17 P78536 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
SCHEMBL6691880 0.92 MMP13 (0.77) MMP13MMP2MMP9MMP14MMP8
Hydrochloric Acid SCHEMBL6687154 0.88 MMP13 (0.98) MMP13MMP2MMP9MMP14MMP8
SCHEMBL5919458 0.85 MMP9 (0.86) MMP13MMP2MMP9MMP14MMP8
SCHEMBL5919470 0.83 MMP14 (1.00) MMP13MMP2MMP9MMP14MMP8
Hydrochloric Acid SCHEMBL6461484 0.82 MMP14 (0.98) MMP13MMP2MMP9MMP14MMP8
SCHEMBL5919288 0.82 MMP9 (0.81) MMP13MMP2MMP9MMP14MMP8
Sulfuric Acid SCHEMBL6685375 0.82 MMP14 (0.96) MMP13MMP2MMP9MMP14MMP8
SCHEMBL6684445 0.82 MMP14 (0.96) MMP13MMP2MMP9MMP14MMP8
Acetic Acid SCHEMBL6687643 0.81 MMP14 (0.95) MMP13MMP2MMP9MMP14MMP8
Phosphoric Acid SCHEMBL6688569 0.81 MMP14 (0.95) MMP13MMP2MMP9MMP14MMP8

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.