SCHEMBL21844004

SCHEMBL21844004

CSN[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
MME P08473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21242698 1.00 TP53 (0.39) TP53CA2CA1MMEALDH1A1
SCHEMBL27391604 1.00 TP53 (0.39) TP53CA2CA1MMEALDH1A1
SCHEMBL21242713 1.00 TP53 (0.39) TP53CA2CA1MMEALDH1A1
SCHEMBL21844017 0.83 SMN1; SMN2 (0.37) TP53ALDH1A1
SCHEMBL24946361 0.79
SCHEMBL18088383 0.76 ALDH1A1 (0.36) TP53CA2CA1MMEALDH1A1
SCHEMBL29858530 0.74 TP53 (0.47) TP53CA2CA1MMEALDH1A1
SCHEMBL21621510 0.72
SCHEMBL14819886 0.72
SCHEMBL21242710 0.72

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-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TP53 385/4885CA2 4777/4885CA1 4284/4885

“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.