SCHEMBL6862965

SCHEMBL6862965

C=CC(=O)OCC1CSC(c2ccc(Br)cc2)S1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
TGM2 P21980 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
THRB P10828 1/20 0.31
F13A1 P00488 1/20 0.31
LMNA P02545 1/20 0.31
TGM1 P22735 1/20 0.31
TGM3 Q08188 1/20 0.31

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
SCHEMBL5208212 0.94 THRB (0.34) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL6860887 0.88 MAPT (0.36) GSK3BTGM2MAPTTHRB
SCHEMBL6863500 0.88 MAPT (0.33) GSK3BMAPTTHRB
SCHEMBL6856182 0.87 THRB (0.40) GSK3BTHRB
SCHEMBL6861759 0.85 MGLL (0.39) GSK3BTHRB
SCHEMBL6856677 0.85 CA1 (0.36) GSK3BTGM2ALDH1A1TP53TSHR
SCHEMBL5208864 0.85 THRB (0.33) THRB
SCHEMBL6862800 0.84 SLC6A2 (0.34) ALDH1A1MAPT
SCHEMBL5211705 0.84 THRB (0.37) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL6863277 0.83 THRB (0.41) TGM2ALDH1A1MAPTTHRBLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 EP 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 GSK3B 4815/4885TGM2 3052/4885ALDH1A1 132/4885

“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.