SCHEMBL8228874

SCHEMBL8228874

COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CC(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 19/20 1.00
▸ MMP12 P39900 18/20 1.00
▸ MMP9 P14780 17/20 1.00
▸ MMP13 P45452 13/20 1.00
▸ MMP14 P50281 13/20 1.00
▸ MMP3 P08254 11/20 1.00
▸ MMP8 P22894 10/20 1.00
▸ MMP16 P51512 10/20 1.00
▸ MMP1 P03956 10/20 1.00
▸ ADAM17 P78536 1/20 0.69
▸ ALB P02768 1/20 0.60
▸ PTGDR2 Q9Y5Y4 1/20 0.57

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
SCHEMBL8228783 0.92 MMP2 (1.00) MMP2MMP12MMP9MMP13MMP14
SCHEMBL10049385 0.85 MMP2 (0.73) MMP2MMP12MMP9MMP13MMP14
SCHEMBL8231569 0.85 MMP2 (0.73) MMP2MMP12MMP9MMP13MMP14
SCHEMBL314397 0.84 MMP2 (1.00) MMP2MMP12MMP9MMP13MMP14
SCHEMBL8363032 0.83 MMP2 (0.85) MMP2MMP12MMP9MMP13MMP14
SCHEMBL325258 0.81 MMP2 (1.00) MMP2MMP12MMP9MMP13MMP14
SCHEMBL13697346 0.80 MMP2 (0.67) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7274484 0.80 MMP2 (0.71) MMP2MMP12MMP9MMP13MMP14
SCHEMBL13401706 0.77 MMP2 (0.75) MMP2MMP12MMP9MMP13MMP14
SCHEMBL10049367 0.77 MMP2 (0.73) MMP2MMP12MMP9MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093386-B2 Thioaryl substituted inhibitors of zinc proteases and their use BRACCO IMAGING S.P.A (IT) 2012-01-10 — — US disclosed
US-8093386-B2 Thioaryl substituted inhibitors of zinc proteases and their use BRACCO IMAGING S.P.A (IT) 2012-01-10 — — US disclosed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 — — US disclosed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 — — US disclosed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 — — 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-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE SERPINB1, ZFX, MMP2 MMP2 3/4885MMP12 37/4885MMP9 8/4885

“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.

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