SCHEMBL3072491

SCHEMBL3072491

CC(C)(C)c1nc(-c2ccc3c(c2)oc2ccc(S(=O)(=O)O)cc23)no1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 13/20 0.62
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HDAC4 P56524 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
S1PR1 P21453 1/20 0.38
HDAC1 Q13547 3/20 0.36

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
SCHEMBL3080524 0.89 MMP12 (0.59) MMP12CNR1CNR2HDAC4HDAC6
SCHEMBL3067567 0.84 MMP12 (0.65) MMP12CNR1CNR2HDAC4HDAC6
SCHEMBL3072979 0.84 MMP12 (0.67) MMP12
SCHEMBL3083215 0.83 MMP12 (0.66) MMP12HDAC4HDAC6
SCHEMBL3065727 0.82 MMP12 (0.77) MMP12
SCHEMBL3085915 0.82 MMP12 (0.61) MMP12HDAC4HDAC6
SCHEMBL3087734 0.81 MMP12 (0.93) MMP12
SCHEMBL3087724 0.81 MMP12 (0.93) MMP12
SCHEMBL3091853 0.80 MMP12 (0.72) MMP12
SCHEMBL13179854 0.80 MMP12 (0.52) MMP12CNR1CNR2HDAC4HDAC6

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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 MMP12 3/4885CNR1 2083/4885CNR2 2903/4885

“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.