SCHEMBL8231555

SCHEMBL8231555

O=C(O)CC(C(=O)O)c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 11/20 0.64
▸ MMP9 P14780 11/20 0.64
▸ MMP12 P39900 11/20 0.64
▸ MMP14 P50281 10/20 0.64
▸ MMP13 P45452 10/20 0.64
▸ MMP8 P22894 9/20 0.64
▸ MMP16 P51512 8/20 0.64
▸ MMP1 P03956 8/20 0.64
▸ MMP3 P08254 8/20 0.56
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MMP7 P09237 1/20 0.45
▸ ADAMTS4 O75173 2/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ GAA P10253 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
SCHEMBL28306756 0.72 L3MBTL1 (0.59) MMP2MMP9MMP12MMP14MMP13
SCHEMBL10049375 0.71 MMP12 (0.50) MMP2MMP9MMP12MMP14MMP13
SCHEMBL10049383 0.71 TSHR (0.48) MMP2MMP9MMP12MMP14MMP13
SCHEMBL8222695 0.70 MMP12 (0.61) MMP2MMP9MMP12MMP14MMP13
SCHEMBL2649397 0.70 MMP2 (0.46) MMP2MMP9MMP12MMP14MMP13
SCHEMBL9228368 0.68 MMP2 (0.82) MMP2MMP9MMP12MMP14MMP13
SCHEMBL28251552 0.68 ADAMTS4 (0.52) MMP2MMP9MMP12MMP14MMP13
SCHEMBL8485346 0.68 MMP9 (0.74) MMP2MMP9MMP12MMP14MMP13
SCHEMBL8492008 0.68 MMP9 (0.74) MMP2MMP9MMP12MMP14MMP13
SCHEMBL372276 0.67 CYP1A2 (0.57) CYP1A2TSHRGAA

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 3/4885MMP9 8/4885MMP12 37/4885

“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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