SCHEMBL18494887

SCHEMBL18494887

CCCC[C@H](NC(C)C)C(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.43
▸ CA2 P00918 6/20 0.39
▸ CA1 P00915 6/20 0.39
▸ SLC15A1 P46059 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX1 P07099 1/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL25460712 1.00 CTSK (0.43) CTSKCA2CA1SLC15A1MAPK1
SCHEMBL17806174 1.00 CTSK (0.43) CTSKCA2CA1SLC15A1MAPK1
SCHEMBL16689672 0.94 CA1 (0.42) CTSKCA2CA1MAPK1MEN1
SCHEMBL17806162 0.94 CA1 (0.42) CTSKCA2CA1MAPK1MEN1
SCHEMBL24221392 0.88 HDAC7 (0.35) CTSKMAPK1MEN1FAAHKMT2A
SCHEMBL10166039 0.88 HDAC7 (0.35) CTSKMAPK1MEN1FAAHKMT2A
SCHEMBL13707903 0.84 CA2 (0.48) CTSKCA2CA1SLC15A1MAPK1
SCHEMBL18494032 0.84 BLM (0.38) CTSKCA1
SCHEMBL25565100 0.84 CTSK (0.30) CTSK
SCHEMBL24221039 0.82 KDM4C (0.38) CA1

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-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 — — 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-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 CTSK 941/4885CA2 3025/4885CA1 704/4885

“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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