SCHEMBL3607169

SCHEMBL3607169

COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CC=CCN(O)C3=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 1.00
MMP9 P14780 20/20 1.00
MMP13 P45452 4/20 0.80
MMP3 P08254 3/20 0.80
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL8203763 1.00 MMP2 (1.00) MMP2MMP9MMP13MMP3CA1
SCHEMBL8209543 0.90 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP1
SCHEMBL3109502 0.90 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP1
SCHEMBL3098154 0.89 MMP2 (1.00) MMP2MMP9MMP13MMP3
SCHEMBL13074271 0.89 MMP2 (1.00) MMP2MMP9MMP13MMP3
SCHEMBL3111538 0.88 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP1
SCHEMBL8204841 0.88 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13036925 0.86 MMP2 (0.85) MMP2MMP9MMP13MMP3
SCHEMBL8203481 0.86 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP8
SCHEMBL8197033 0.86 MMP2 (1.00) MMP2MMP9MMP13MMP3MMP8

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-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 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 (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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885MMP13 29/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885MMP13 29/4885

“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.