SCHEMBL6809688

SCHEMBL6809688

COc1ccc(-c2ccc(S(=O)(=O)CNC(C(=O)NO)C3CCN(CCc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 1/20 0.56
ADAMTS5 Q9UNA0 1/20 0.56
MMP1 P03956 10/20 0.54
MMP13 P45452 10/20 0.54
MMP9 P14780 9/20 0.54
ADAM17 P78536 2/20 0.54
OPRM1 P35372 2/20 0.49
MMP2 P08253 6/20 0.47
MMP3 P08254 6/20 0.47
MMP7 P09237 4/20 0.47
MMP8 P22894 4/20 0.47

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
SCHEMBL6291014 0.92 MMP13 (0.54) MMP1MMP13MMP9ADAM17OPRM1
SCHEMBL7250654 0.90 ADAMTS7 (0.71) ADAMTS7ADAMTS5MMP1MMP13MMP9
SCHEMBL6808793 0.87 ADAMTS7 (0.56) ADAMTS7ADAMTS5MMP1MMP13MMP9
SCHEMBL6809689 0.83 MMP13 (0.56) ADAMTS7ADAMTS5MMP1MMP13MMP9
SCHEMBL6289783 0.82 MMP3 (0.61) ADAMTS7ADAMTS5MMP1MMP13MMP9
SCHEMBL6810070 0.80 MMP13 (0.66) ADAMTS7ADAMTS5MMP1MMP13MMP9
SCHEMBL6291040 0.79 MMP13 (0.55) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6372187 0.77 MMP13 (0.60) ADAMTS7ADAMTS5MMP1MMP13MMP9
SCHEMBL6291016 0.77 MMP13 (0.67) MMP1MMP13MMP9ADAM17OPRM1
SCHEMBL7251477 0.75 ADAMTS7 (0.71) ADAMTS7ADAMTS5MMP1MMP13MMP9

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-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2004-07-01 US claimed
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 ADAMTS7 90/4885ADAMTS5 87/4885MMP1 15/4885
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 ADAMTS7 90/4885ADAMTS5 87/4885MMP1 15/4885

“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.