SCHEMBL10049380

SCHEMBL10049380

COc1ccc(-c2ccc(Sc3ccccc3C(CCCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.54
MMP9 P14780 10/20 0.54
MMP12 P39900 3/20 0.54
MMP3 P08254 3/20 0.52
MMP13 P45452 3/20 0.52
MMP14 P50281 4/20 0.51
MMP1 P03956 4/20 0.51
HDAC7 Q8WUI4 5/20 0.49
HDAC1 Q13547 4/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL8229795 0.88 MMP2 (0.54) MMP2MMP9MMP12MMP3MMP13
SCHEMBL317130 0.77 MMP9 (0.59) MMP2MMP9MMP12MMP3MMP13
SCHEMBL315481 0.75 MMP2 (0.60) MMP2MMP9MMP12MMP3MMP13
SCHEMBL7230599 0.69 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP14
SCHEMBL7073583 0.69 MMP2 (0.56) MMP2MMP9MMP3MMP13MEN1
SCHEMBL7956006 0.67 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP14
SCHEMBL1782200 0.67 MMP2 (1.00) MMP2MMP9MMP12MMP3MMP13
SCHEMBL323934 0.67 MMP2 (0.67) MMP2MMP9MMP12MMP3MMP13
SCHEMBL8231858 0.67 MMP2 (0.60) MMP2MMP9MMP12MMP14MEN1
SCHEMBL9113979 0.67 RAB9A (0.69) MEN1KMT2AHSD17B10CYP1A2CYP2D6

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 2 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-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 US 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.