SCHEMBL25496536

SCHEMBL25496536

CCC(C)C(=O)NC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.63
▸ GAA P10253 1/20 0.63
▸ AKR1B1 P15121 1/20 0.47
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45

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
SCHEMBL12430289 0.86 PYGB (0.64) PYGBGAAAKR1B1CA12CA1
SCHEMBL14342166 0.84 PYGB (0.61) PYGBGAAAKR1B1CA12CA1
SCHEMBL18376253 0.83 PYGB (0.60) PYGBGAAAKR1B1CA12CA1
SCHEMBL18376339 0.83 PYGB (0.57) PYGBGAAAKR1B1CA12CA1
SCHEMBL18376980 0.81 PYGB (0.57) PYGBGAAAKR1B1CA12CA1
SCHEMBL14342150 0.79 PYGB (0.61) PYGBGAAAKR1B1CA12CA1
SCHEMBL18376977 0.79 PYGB (0.56) PYGBGAAAKR1B1CA12CA1
SCHEMBL18376575 0.78 PYGB (0.55) PYGBGAAAKR1B1CA12CA1
SCHEMBL5318596 0.78 PYGB (0.58) PYGBGAAAKR1B1CA12CA1
SCHEMBL13337109 0.78 PYGB (0.66) PYGBGAAAKR1B1CA1CA2

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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 — — 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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 PYGB 1535/4885GAA 960/4885AKR1B1 216/4885

“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.

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