SCHEMBL316077

SCHEMBL316077

COc1ccc(Oc2ccc([S+]([O-])c3ccccc3C(=O)NO)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.57
MMP9 P14780 10/20 0.57
MMP2 P08253 7/20 0.57
MMP8 P22894 6/20 0.57
MMP12 P39900 6/20 0.57
MMP14 P50281 5/20 0.57
MMP16 P51512 5/20 0.57
MMP3 P08254 5/20 0.57
MMP1 P03956 5/20 0.48
PNLIP P16233 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL316419 0.85 LTA4H (0.46) MMP13MMP9MMP2MMP8MMP12
SCHEMBL315789 0.71 MMP2 (0.56) MMP13MMP9MMP2MMP8MMP12
SCHEMBL8933405 0.70 KEAP1 (0.41) LMNACA1CA2NPC1RAB9A
SCHEMBL29587251 0.69 LTA4H (0.48) LMNACA1CA2MEN1KMT2A
SCHEMBL20955819 0.69 LTA4H (0.48) LMNACA1CA2MEN1KMT2A
SCHEMBL974430 0.69 GAA (0.67) MMP13MMP9MMP2MMP8MMP12
SCHEMBL2070079 0.69 SLC6A3 (0.46) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL10515711 0.67 MEN1 (0.65) MMP13MMP9MMP2MMP8MMP12
SCHEMBL6395440 0.67 CA4 (0.54) LMNACA1CA2KMT2ANPC1
SCHEMBL12772116 0.67 ALDH1A1 (0.49) LMNACA1CA2KMT2A

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 11 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 claimed
JP-2009545556-A 2009-12-24 JP claimed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 US claimed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 EP claimed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 WO claimed
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
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

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 MMP13 68/4885MMP9 8/4885MMP2 3/4885

“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.