SCHEMBL21794738

SCHEMBL21794738

CC(CC(C)C(=O)C(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CTSK P43235 9/20 0.44
▸ CTSS P25774 4/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CTSL P07711 3/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CAPN1 P07384 1/20 0.37
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL15110725 0.84 CA1 (0.49) CA2CA1CA7CTSKCTSS
SCHEMBL22404434 0.83 CA1 (0.47) CA2CA1CA7CTSKCTSS
SCHEMBL4047833 0.83 CA1 (0.47) CA2CA1CA7CTSKCTSS
SCHEMBL14167474 0.83 CA1 (0.47) CA2CA1CA7CTSKCTSS
SCHEMBL19021911 0.82 CA1 (0.58) CA2CA1CA7CTSKCTSS
SCHEMBL902049 0.82 CA1 (0.58) CA2CA1CA7CTSKCTSS
SCHEMBL25231724 0.80 CA1 (0.51) CA2CA1CA7CTSKCTSS
SCHEMBL22337395 0.80 CA1 (0.51) CA2CA1CA7CTSKCTSS
SCHEMBL25278428 0.80 CA1 (0.51) CA2CA1CA7CTSKCTSS
SCHEMBL13744904 0.80 CA1 (0.51) CA2CA1CA7CTSKCTSS

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-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 — — US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 — — 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 (2 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-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA2 2520/4885CA1 3042/4885CA7 2286/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CA2 2427/4885CA1 2688/4885CA7 2028/4885

“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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