SCHEMBL1222571

SCHEMBL1222571

CSCCCN(O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
FOLH1 Q04609 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 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
SCHEMBL24172307 0.79 CA12 (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL4061706 0.79 TDP1 (0.42) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL21937996 0.78 CA14 (0.41) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL9434880 0.76 HDAC6 (0.44) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL8887438 0.76 HDAC1 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL9901110 0.75 CA14 (0.44) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL5214651 0.74 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14CTSS
SCHEMBL929384 0.73 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CTSS
SCHEMBL9434997 0.72 CA14 (0.43) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL25074829 0.72 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14L3MBTL1

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-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 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-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE MTAP, PNP, TYMP HDAC6 1023/4885HDAC1 715/4885HDAC2 1223/4885

“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.