SCHEMBL6689189

SCHEMBL6689189

O=C(c1ccccc1)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 15/20 0.75
MMP9 P14780 14/20 0.75
MMP8 P22894 13/20 0.75
MMP13 P45452 13/20 0.75
MMP3 P08254 13/20 0.75
MMP1 P03956 11/20 0.75
MMP2 P08253 8/20 0.75
MMP7 P09237 3/20 0.68
ADAM17 P78536 3/20 0.63
MMP10 P09238 1/20 0.57
KCNH2 Q12809 1/20 0.57
ADAMTS4 O75173 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.55

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
SCHEMBL6685952 0.90 MMP13 (0.68) MMP14MMP9MMP8MMP13MMP3
SCHEMBL6687124 0.86 MMP14 (1.00) MMP14MMP9MMP8MMP13MMP3
SCHEMBL16089502 0.84 MMP9 (1.00) MMP14MMP9MMP8MMP13MMP3
SCHEMBL6685918 0.84 MMP13 (0.67) MMP14MMP9MMP8MMP13MMP3
SCHEMBL14816989 0.82 MMP14 (0.68) MMP14MMP9MMP8MMP13MMP3
SCHEMBL5919245 0.81 MMP14 (1.00) MMP14MMP9MMP8MMP13MMP3
SCHEMBL6684314 0.81 MMP13 (0.66) MMP14MMP9MMP8MMP13MMP3
Hydrochloric Acid SCHEMBL6049826 0.80 MMP14 (0.98) MMP14MMP9MMP8MMP13MMP3
SCHEMBL6686108 0.80 MMP14 (0.65) MMP14MMP9MMP8MMP13MMP3
SCHEMBL5919384 0.79 MMP13 (0.77) MMP14MMP9MMP8MMP13MMP3

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 4 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
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO 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 1/4885MMP8 24/4885

“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.