SCHEMBL8229795

SCHEMBL8229795

CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)c1ccccc1Sc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.54
MMP9 P14780 9/20 0.54
MMP12 P39900 4/20 0.54
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
MMP3 P08254 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.41

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
SCHEMBL10049380 0.88 MMP2 (0.54) MMP2MMP9MMP12HSD17B10MEN1
SCHEMBL8231858 0.77 MMP2 (0.60) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL8231323 0.72 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1MMP14
SCHEMBL10049376 0.70 MMP2 (0.51) MMP2MMP9MMP12HSD17B10MEN1
SCHEMBL7073583 0.69 MMP2 (0.56) MMP2MMP9HSD17B10MEN1KMT2A
SCHEMBL8888720 0.68 TDP1 (0.51) MMP2MMP9MEN1KMT2AALDH1A1
SCHEMBL5526889 0.67 ALDH1A1 (0.48) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL323934 0.67 MMP2 (0.67) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7260273 0.67 ALDH1A1 (0.48) MMP2MMP9HSD17B10MEN1KMT2A
SCHEMBL8229801 0.67 MMP2 (0.73) MMP2MMP9MMP12MEN1KMT2A

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.