SCHEMBL6864166

SCHEMBL6864166

C=CC(=O)SCC1CSC(c2ccc(OC)cc2)S1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.35
TGM2 P21980 1/20 0.35
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL6856188 0.90 GSK3B (0.34) GAAPOLBRAB9AGSK3BTGM2
SCHEMBL5206603 0.90
SCHEMBL6862091 0.87 MAPT (0.34) GSK3BTGM2
SCHEMBL6855771 0.86 MMP9 (0.40) GAARAB9ATGM2ALDH1A1SMN1; SMN2
SCHEMBL6855910 0.85 SLC6A2 (0.32)
SCHEMBL6861020 0.84 GSK3B (0.32) GSK3BTGM2LMNA
SCHEMBL6863136 0.84 MAPT (0.36) RAB9AGSK3B
SCHEMBL5211392 0.84
SCHEMBL6856418 0.84 GAA (0.38) GAAPOLBRAB9AKMT2AATM
SCHEMBL6861010 0.84 GABRP (0.32)

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 GAA 2345/4885POLB 3241/4885RAB9A 3074/4885

“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.