SCHEMBL6862800

SCHEMBL6862800

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RCE1 Q9Y256 1/20 0.32
GPR119 Q8TDV5 1/20 0.30

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 0.90 THRB (0.34) KDM4EALDH1A1
SCHEMBL6860887 0.87 MAPT (0.36) KDM4EMAPT
SCHEMBL6856677 0.85 CA1 (0.36) KDM4EALDH1A1MAPT
SCHEMBL6862965 0.84 GSK3B (0.32) ALDH1A1MAPT
SCHEMBL6863500 0.84 MAPT (0.33) MAPT
SCHEMBL6862699 0.84
SCHEMBL6856182 0.84 THRB (0.40)
SCHEMBL6861219 0.84 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1GPR119
SCHEMBL6863066 0.83 KDM4E (0.30) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL6861759 0.82 MGLL (0.39) SLC6A2SLC6A4

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 SLC6A2 4808/4885SLC6A4 4613/4885SLC6A3 4746/4885

“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.