SCHEMBL6809689

SCHEMBL6809689

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.56
MMP1 P03956 10/20 0.56
MMP9 P14780 10/20 0.56
MMP2 P08253 5/20 0.56
MMP3 P08254 5/20 0.56
MMP8 P22894 4/20 0.56
MMP7 P09237 3/20 0.56
ADAMTS7 Q9UKP4 2/20 0.55
ADAMTS5 Q9UNA0 2/20 0.55
ADAM17 P78536 2/20 0.52
OPRM1 P35372 2/20 0.50
MMP14 P50281 2/20 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
SCHEMBL6372187 0.91 MMP13 (0.60) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6291016 0.91 MMP13 (0.67) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6808795 0.86 ADAMTS7 (0.55) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7250654 0.83 ADAMTS7 (0.71) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6809688 0.83 ADAMTS7 (0.56) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6290459 0.80 MMP13 (0.82) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6294208 0.78 MMP13 (0.61) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6360526 0.78 MMP13 (0.61) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6291014 0.78 MMP13 (0.54) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6289783 0.77 MMP3 (0.61) MMP13MMP1MMP9MMP2MMP3

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 MMP13 38/4885MMP1 15/4885MMP9 3/4885
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 MMP13 38/4885MMP1 15/4885MMP9 3/4885

“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.