SCHEMBL315140

SCHEMBL315140

COc1ccc(-c2ccc(Sc3ccccc3CC(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 1.00
MMP12 P39900 9/20 1.00
MMP9 P14780 8/20 1.00
MMP14 P50281 4/20 0.75
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
MMP8 P22894 3/20 0.56
MMP13 P45452 3/20 0.56
MMP16 P51512 3/20 0.56
MMP1 P03956 1/20 0.56
MMP3 P08254 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC6A9 P48067 7/20 0.50

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
SCHEMBL315440 0.96 MMP2 (0.92) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL316248 0.92 MMP2 (0.85) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL8228112 0.87 MMP2 (0.76) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL315491 0.86 MMP2 (1.00) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL8229801 0.85 MMP2 (0.73) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL8231456 0.84 MMP2 (0.72) MMP2MMP12MMP9MMP14HPGD
SCHEMBL8228240 0.84 MMP2 (0.72) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL8363035 0.83 MMP2 (0.71) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL6932107 0.82 MMP2 (0.70) MMP2MMP12MMP9MMP14CYP2C9
SCHEMBL315368 0.82 MMP2 (1.00) MMP2MMP12MMP9MMP14CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.