SCHEMBL21784362

SCHEMBL21784362

CCOC(CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CPB2 Q96IY4 7/20 0.34
CA14 Q9ULX7 3/20 0.33
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA7 P43166 1/20 0.30
EPHX1 P07099 1/20 0.30
CA2 P00918 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
SCHEMBL16197721 0.86 CTSK (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL14023369 0.83 CPB2 (0.35) HDAC6HDAC1HDAC2CPB2CA14
SCHEMBL6620920 0.83 L3MBTL1 (0.43)
SCHEMBL6517339 0.80 HDAC6 (0.41) HDAC6HDAC1HDAC2CPB2CA14
SCHEMBL3747931 0.80 CA14 (0.40) HDAC6HDAC1HDAC2CPB2CA14
SCHEMBL16205771 0.79 CTSK (0.36) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL21651913 0.77 CA12 (0.40) HDAC6HDAC1HDAC2CPB2CA14
SCHEMBL137000 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC2CPB2CA14
SCHEMBL14396847 0.75 CA14 (0.41) HDAC6HDAC1HDAC2CPB2CA14
SCHEMBL13109069 0.75 CA14 (0.39) HDAC6HDAC1HDAC2CPB2CA14

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
WO-2024216075-A1 SYNTHESIS OF MAVORIXAFOR AND INTERMEDIATES THEREOF X4 PHARMACEUTICALS, INC. (US) 2024-10-17 WO disclosed
US-11672793-B2 Compositions of CXCR4 inhibitors and methods of preparation and use X4 PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
WO-2020047410-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE X4 PHARMACEUTICALS, INC. (US) 2020-03-05 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-11672793-B2 Compositions of CXCR4 inhibitors and methods of preparation and use CXCR4, CXCL12, CXCR1 HDAC6 388/4885HDAC1 743/4885HDAC2 1385/4885

“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.