SCHEMBL10074428

SCHEMBL10074428

CCCCOC(=O)c1ccccc1Sc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MMP2 P08253 6/20 0.55
MMP9 P14780 6/20 0.55
MMP12 P39900 6/20 0.55
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
MMP14 P50281 1/20 0.52
DDX3X O00571 1/20 0.52
MAPK1 P28482 3/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
SLC6A9 P48067 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8229730 0.93 TSHR (0.56) TSHRTDP1L3MBTL1MMP2MMP9
SCHEMBL8228124 0.84 TSHR (0.60) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL10049369 0.83 MMP2 (0.58) TSHRTDP1L3MBTL1MMP2MMP9
SCHEMBL315528 0.79 MMP2 (0.65) TDP1L3MBTL1MMP2MMP9MMP12
1,4-Dimethoxybenzene SCHEMBL27381899 0.78 ALDH1A1 (0.82) TSHRTDP1L3MBTL1DDX3XMAPK1
SCHEMBL27971902 0.78 ALDH1A1 (0.77) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL29092613 0.78 TSHR (0.75) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL10049366 0.76 MMP2 (0.49) TSHRTDP1L3MBTL1MMP2MMP9
SCHEMBL315581 0.75 NPC1 (0.59) TDP1L3MBTL1MMP2MMP9MMP12
SCHEMBL8228138 0.74 MMP2 (0.59) TSHRTDP1L3MBTL1MMP2MMP9

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 TSHR 735/4885TDP1 1289/4885L3MBTL1 1167/4885

“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.