SCHEMBL2127498

SCHEMBL2127498

CC(=O)N1CCC2(CC1)CC(=O)c1cc(/C=C/C(=O)O)ccc1O2

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.79
HDAC4 P56524 19/20 0.79
HDAC1 Q13547 19/20 0.79
HDAC7 Q8WUI4 19/20 0.79
HDAC2 Q92769 19/20 0.79
HDAC10 Q969S8 19/20 0.79
HDAC11 Q96DB2 19/20 0.79
HDAC8 Q9BY41 19/20 0.79
HDAC6 Q9UBN7 19/20 0.79
HDAC9 Q9UKV0 19/20 0.79
HDAC5 Q9UQL6 19/20 0.79
KCNH2 Q12809 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL2127507 1.00 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547153 0.96 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547156 0.96 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547138 0.94 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2128195 0.91 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2128191 0.91 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176180 0.90 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547290 0.90 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176184 0.90 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547289 0.90 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115148-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2015-08-25 US disclosed
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2014-03-20 US disclosed
EP-2279187-B9 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-12-12 EP disclosed
EP-2279187-B1 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-04-25 EP disclosed
EP-2110377-A1 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.r.l. (IT) 2009-10-21 EP 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-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 HDAC3 4/4885HDAC4 10/4885HDAC1 5/4885

“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.