SCHEMBL23922605

SCHEMBL23922605

CC(/C=C/CCS)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.39
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7901849 0.82 TERT (0.42) HDAC2PGRTDP1
SCHEMBL7911935 0.82 TERT (0.42) HDAC2PGRTDP1
SCHEMBL23829791 0.82 HDAC2 (0.40) HDAC2PGR
SCHEMBL23829790 0.82 HDAC2 (0.40) HDAC2PGR
SCHEMBL5981223 0.78 F7 (0.48) PGRTDP1
SCHEMBL1705896 0.78 F7 (0.48) PGRTDP1
SCHEMBL1705893 0.78 F7 (0.48) PGRTDP1
SCHEMBL23922597 0.78 ALDH1A1 (0.43) HDAC2
SCHEMBL6439563 0.78 SLC22A6 (0.43) HDAC2SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL6439560 0.78 SLC22A6 (0.43) HDAC2SLC22A6CACNA2D1CACNB3CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149062-B2 HDAC inhibitors and methods of treatment using the same UWM RESEARCH FOUNDATION, INC. (US) 2021-10-19 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-11149062-B2 HDAC inhibitors and methods of treatment using the same HDAC4, HDAC2, HDAC8 HDAC2 2/4885ITGB3 3852/4885ITGA2B 2041/4885

“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.