SCHEMBL3072008

SCHEMBL3072008

CC(C)(C)c1nc(-c2ccc3c(c2)oc2ccc(S(=O)(=O)N[C@H](Cc4ccccc4)C(=O)O)cc23)no1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 13/20 0.68
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MMP2 P08253 5/20 0.48
MMP9 P14780 3/20 0.48
ADAMTS4 O75173 2/20 0.48
POLB P06746 1/20 0.47
MMP13 P45452 2/20 0.46
MMP14 P50281 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
SCHEMBL3066184 0.89 MMP12 (0.72) MMP12MMP2MMP9MMP13
SCHEMBL3079306 0.89 MMP12 (0.72) MMP12MMP2MMP9MMP13
SCHEMBL3091853 0.88 MMP12 (0.72) MMP12MMP13
SCHEMBL13144563 0.87 MMP12 (0.60) MMP12MMP2MMP9POLB
SCHEMBL3117028 0.85 MMP12 (0.77) MMP12MMP2MMP9MMP13
SCHEMBL3079176 0.85 MMP12 (0.77) MMP12MMP2MMP9MMP13
SCHEMBL3079371 0.85 MMP12 (0.77) MMP12MMP2MMP9MMP13
SCHEMBL3085472 0.85 MMP12 (0.77) MMP12MMP2MMP9MMP13
SCHEMBL3072246 0.85 MMP12 (0.77) MMP12MMP2MMP9MMP13
SCHEMBL3065727 0.85 MMP12 (0.77) MMP12MMP13

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US claimed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP claimed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO claimed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 MMP12 3/4885ALDH1A1 456/4885MAPT 3889/4885

“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.