SCHEMBL6285478

SCHEMBL6285478

[CH2]C(N)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL6687835 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL6285387 0.79 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL6276163 0.77 CA14 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL5402224 0.76 MAPK1 (0.37) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL29029290 0.76 GABRR1 (0.33) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL12160052 0.74 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL8341453 0.74 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL7997176 0.73 MEN1 (0.35) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL7810945 0.73 CA12 (0.34) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL6295389 0.73 HDAC6 (0.32) HDAC6HDAC1HDAC2CA1CA2

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-6958395-B2 Method for producing water-soluble saccharide conjugates and saccharide mimetics by Diels-Alder reaction DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2005-10-25 US disclosed
US-20040059101-A1 Method for producing water-soluble saccharide conjugates and saccharide mimetics by diels-alder reaction DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2004-03-25 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-20040059101-A1 Method for producing water-soluble saccharide conjugates and saccharide mimetics by diels-alder reaction SI, MAN1B1, SORD HDAC6 1588/4885HDAC1 2360/4885HDAC2 2604/4885

“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.