SCHEMBL2050166

SCHEMBL2050166

O=C(ON1C(=O)CCC1=O)C(c1ccccc1CSSc1ccccn1)S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
LMNA P02545 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
SCHEMBL2050169 0.85 POLB (0.35) HDAC1HDAC2LMNA
SCHEMBL5133715 0.79 LMNA (0.36) HDAC1HDAC2LMNA
SCHEMBL18084525 0.79 EHMT2 (0.36) LMNA
SCHEMBL18726574 0.79 HDAC1 (0.37) HDAC1HDAC2LMNA
SCHEMBL574827 0.79 HDAC1 (0.37) HDAC1HDAC2LMNA
SCHEMBL29353376 0.79 HDAC1 (0.37) HDAC1HDAC2LMNA
SCHEMBL1746858 0.78 ALDH1A1 (0.35) LMNA
SCHEMBL18726765 0.77 HDAC1 (0.40) HDAC1HDAC2LMNA
SCHEMBL7201002 0.74 POLB (0.32) LMNA
SCHEMBL9904994 0.73 HDAC1 (0.36) HDAC1HDAC2LMNA

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-8846080-B2 Vaccine GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2014-09-30 US disclosed
US-20110159081-A1 VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. 2011-06-30 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-20110159081-A1 VACCINE LY96, CD47, CD74 HDAC1 2639/4885HDAC2 2838/4885LMNA 2746/4885

“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.