SCHEMBL10049366

SCHEMBL10049366

COc1ccc(Oc2ccc(Sc3ccccc3C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.49
MMP9 P14780 4/20 0.49
MMP12 P39900 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A9 P48067 6/20 0.46
DHODH Q02127 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL10049369 0.93 MMP2 (0.58) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL8229730 0.83 TSHR (0.56) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL315607 0.82 NPC1 (0.56) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL10049368 0.81 MMP2 (0.62) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL8231053 0.81 ALDH1A1 (0.54) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL315581 0.78 NPC1 (0.59) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL10049358 0.77 MMP2 (0.66) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL10074428 0.76 TSHR (0.56) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL315789 0.76 MMP2 (0.56) MMP2MMP9MMP12L3MBTL1ALDH1A1
SCHEMBL14581003 0.76 ALDH1A1 (0.45) MMP2MMP9MMP12L3MBTL1ALDH1A1

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.