SCHEMBL31059680

SCHEMBL31059680

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 6/20 0.40
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL15702331 0.87 CA1 (0.47) CTSKCA1CA2CA7MEN1
SCHEMBL6679982 0.87 CA1 (0.47) CTSKCA1CA2CA7MEN1
SCHEMBL24427288 0.83 CA1 (0.44) CTSKCA1CA2CA7MEN1
SCHEMBL15425451 0.83 CA1 (0.44) CTSKCA1CA2CA7MEN1
SCHEMBL14533725 0.83 CTSK (0.49) CTSKCA1CA2CA7CTSS
SCHEMBL6719305 0.83 CA1 (0.44) CTSKCA1CA2CA7MEN1
SCHEMBL27853976 0.82 CA1 (0.42) CTSKCA1CA2CA7MEN1
SCHEMBL31059691 0.81 TDP1 (0.46) CTSKCA1CA2CA7MEN1
SCHEMBL24625529 0.81 CA1 (0.41) CTSKCA1CA2CA7MEN1
SCHEMBL5691699 0.80 CA1 (0.46) CTSKCA1CA2CA7MEN1

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 CTSK 3217/4885CA1 2902/4885CA2 2755/4885

“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.