SCHEMBL314725

SCHEMBL314725

COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.74
MMP12 P39900 15/20 0.74
MMP9 P14780 14/20 0.74
MMP8 P22894 13/20 0.74
MMP13 P45452 13/20 0.74
MMP14 P50281 12/20 0.74
MMP16 P51512 12/20 0.74
MMP3 P08254 10/20 0.74
MMP1 P03956 5/20 0.62
ADAM17 P78536 1/20 0.52
FABP4 P15090 1/20 0.51
PKM P14618 1/20 0.50
PGR P06401 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8964215 0.83 MMP2 (0.59) MMP2MMP12MMP9MMP8MMP13
SCHEMBL316169 0.83 MMP2 (0.77) MMP2MMP12MMP9MMP8MMP13
SCHEMBL10049365 0.82 MMP2 (0.62) MMP2MMP12MMP9MMP8MMP13
SCHEMBL8231847 0.80 MMP2 (0.62) MMP2MMP12MMP9MMP8MMP13
SCHEMBL20129486 0.80 PKM (0.73) MMP2MMP12MMP9MMP8MMP13
SCHEMBL15423745 0.80 PKM (0.73) MMP2MMP12MMP9MMP8MMP13
SCHEMBL10672859 0.80 HTT (0.73) MMP2MMP12MMP9MMP8MMP13
SCHEMBL8228783 0.80 MMP2 (1.00) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11609756 0.79 MMP2 (0.58) MMP2MMP12MMP9MMP8MMP13
SCHEMBL505289 0.79 MMP2 (0.58) MMP2MMP12MMP9MMP8MMP13

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 9 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-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
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 US disclosed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 EP disclosed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 WO 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.