SCHEMBL4813607

SCHEMBL4813607

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
USP30 Q70CQ3 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL4813601 1.00 HDAC6 (0.32) HDAC6HDAC1HDAC2USP30CA1
SCHEMBL9178624 0.84 HDAC6 (0.32) HDAC6HDAC1HDAC2USP30CA1
SCHEMBL3244669 0.82 DPP4 (0.33) HDAC6HDAC1HDAC2
SCHEMBL38666150 0.82 DPP4 (0.33) HDAC6HDAC1HDAC2
SCHEMBL9514223 0.78 HDAC6 (0.41) HDAC6HDAC1HDAC2
SCHEMBL8612678 0.78 HDAC6 (0.41) HDAC6HDAC1HDAC2
SCHEMBL9517948 0.78 HDAC6 (0.41) HDAC6HDAC1HDAC2
SCHEMBL22762835 0.78 HDAC6 (0.32) HDAC6HDAC1HDAC2USP30CA1
SCHEMBL16440494 0.76 HDAC6 (0.36) HDAC6HDAC1HDAC2USP30CA1
SCHEMBL22718216 0.75 CA14 (0.33) HDAC6HDAC1HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 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 (2 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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 HDAC6 10/4885HDAC1 1/4885HDAC2 3/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HDAC6 10/4885HDAC1 1/4885HDAC2 3/4885

“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.