SCHEMBL23977802

SCHEMBL23977802

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
MMP13 P45452 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL30073859 1.00 NPSR1 (0.33) NPSR1HDAC6AAK1MMP13HDAC1
SCHEMBL24490826 1.00 NPSR1 (0.33) NPSR1HDAC6AAK1MMP13HDAC1
SCHEMBL5559416 0.82 CTSK (0.34) HDAC6AAK1MMP13HDAC1HDAC2
SCHEMBL4299159 0.82 CTSK (0.34) HDAC6AAK1MMP13HDAC1HDAC2
SCHEMBL8274243 0.82 CTSK (0.34) HDAC6AAK1MMP13HDAC1HDAC2
SCHEMBL25165406 0.82 HDAC6 (0.33) NPSR1HDAC6HDAC1HDAC2
SCHEMBL9177642 0.81 HDAC6 (0.33) NPSR1HDAC6HDAC1HDAC2
SCHEMBL9173643 0.81 HDAC6 (0.33) NPSR1HDAC6HDAC1HDAC2
SCHEMBL23193949 0.79 NPSR1 (0.33) NPSR1HDAC6HDAC1HDAC2CA12
SCHEMBL29292095 0.79 AAK1 (0.32) NPSR1AAK1MMP13

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-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 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-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS MCL1, BCL9, BCL9L NPSR1 3578/4885HDAC6 259/4885AAK1 1428/4885

“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.