SCHEMBL8229791

SCHEMBL8229791

COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NS(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 1.00
MMP9 P14780 12/20 1.00
MMP12 P39900 12/20 1.00
MMP14 P50281 5/20 0.69
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP1 P03956 4/20 0.46
MMP3 P08254 4/20 0.46
MMP8 P22894 4/20 0.46
MMP13 P45452 4/20 0.46
MMP16 P51512 4/20 0.46
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AR P10275 1/20 0.44
PTGS1 P23219 1/20 0.44
ADAM17 P78536 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
SLC6A2 P23975 1/20 0.40

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
SCHEMBL315368 0.87 MMP2 (1.00) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315491 0.82 MMP2 (1.00) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315941 0.82 MMP2 (0.69) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315516 0.81 MMP2 (0.87) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315109 0.78 MMP2 (0.93) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315140 0.78 MMP2 (1.00) MMP2MMP9MMP12MMP14MEN1
SCHEMBL8223347 0.76 MMP2 (0.71) MMP2MMP9MMP12MMP14MEN1
SCHEMBL314813 0.75 MMP2 (0.86) MMP2MMP9MMP12MMP14MEN1
SCHEMBL8229801 0.74 MMP2 (0.73) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315440 0.74 MMP2 (0.92) MMP2MMP9MMP12MMP14MEN1

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.