SCHEMBL21949033

SCHEMBL21949033

COC(=O)CN(C[C@H](N)C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
KIF11 P52732 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL18426392 0.88 CA14 (0.34) CA14CA12CA2CA1KIF11
SCHEMBL15122705 0.88 CA14 (0.34) CA14CA12CA2CA1KIF11
SCHEMBL15122706 0.88 CA14 (0.34) CA14CA12CA2CA1KIF11
SCHEMBL27257668 0.82 CA14 (0.37) CA14CA12CA2CA1KIF11
SCHEMBL13570150 0.82 CA14 (0.38) CA14CA12CA2CA1HDAC3
SCHEMBL883067 0.81 CA2 (0.39) CA14CA12CA2CA1HDAC1
SCHEMBL20262979 0.81 CA14 (0.42) CA14CA12CA2CA1HDAC3
SCHEMBL8155894 0.80 CA14 (0.38) CA14CA12CA2CA1HDAC1
SCHEMBL6276163 0.80 CA14 (0.36) CA14CA12CA2CA1KIF11
SCHEMBL23189118 0.79 SLC7A5 (0.35) CA14

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-10640534-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-05-05 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-10640534-B2 Therapeutically active compositions and their methods of use IDH1, IDH3B, IDH3A CA14 1360/4885CA12 803/4885CA2 1508/4885

“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.