SCHEMBL31059710

SCHEMBL31059710

C#CCC[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CTSK P43235 12/20 0.43
▸ CTSS P25774 7/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CTSL P07711 3/20 0.41
▸ CTSB P07858 2/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL31059527 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL25166215 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL14738065 0.83 CTSS (0.54) CA1CA2CA7CTSKCTSS
SCHEMBL30993172 0.83 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL30993196 0.83 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL23036809 0.81 CTSS (0.49) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8141271 0.81 CTSS (0.49) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL23273778 0.81 CTSS (0.49) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL14845589 0.80 CTSK (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL25166352 0.80 CA1 (0.40) CA1CA2CA7CTSKCTSS

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-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-09-26 — — US disclosed
WO-2024178335-A2 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-08-29 — — WO 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-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK20, CDK3 CA1 2902/4885CA2 2755/4885CA7 4335/4885

“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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