SCHEMBL20089217

SCHEMBL20089217

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A1 P43005 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
TSHR P16473 3/20 0.35
MMP13 P45452 1/20 0.35
REN P00797 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
DGAT1 O75907 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL31556032 0.94 CA12 (0.41) CA12CA2CA14CA1MEN1
SCHEMBL8861950 0.88 SLC1A1 (0.42) CA12CA2CA14CA1MEN1
SCHEMBL31407405 0.88 SLC1A1 (0.42) CA12CA2CA14CA1MEN1
SCHEMBL20095123 0.88 CA12 (0.38) CA12CA2CA14CA1MEN1
SCHEMBL27041570 0.86 CA14 (0.42) CA12CA2CA14CA1MEN1
SCHEMBL2390690 0.86 CA14 (0.42) CA12CA2CA14CA1MEN1
SCHEMBL15418769 0.86 CA14 (0.42) CA12CA2CA14CA1MEN1
SCHEMBL21510658 0.85 CA12 (0.40) CA12CA2CA14CA1MEN1
SCHEMBL26181356 0.85 CA12 (0.40) CA12CA2CA14CA1MEN1
SCHEMBL20089212 0.84 MMP13 (0.36) CA12CA2CA14CA1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 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-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B CA12 521/4885CA2 811/4885CA14 808/4885

“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.