SCHEMBL4886865

SCHEMBL4886865

CC(=O)SCC(=O)c1ccc(CSCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.53
HDAC4 P56524 9/20 0.53
HDAC1 Q13547 9/20 0.53
HDAC7 Q8WUI4 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC10 Q969S8 9/20 0.53
HDAC11 Q96DB2 9/20 0.53
HDAC8 Q9BY41 9/20 0.53
HDAC6 Q9UBN7 9/20 0.53
HDAC9 Q9UKV0 9/20 0.53
HDAC5 Q9UQL6 9/20 0.53
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46

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
SCHEMBL4885795 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4880410 0.78 LMNA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11851699 0.78 L3MBTL1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1881517 0.78 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4883456 0.76 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20707338 0.75 ALDH1A1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4885900 0.75 HDAC8 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11850061 0.75 GAA (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4877527 0.75 ACHE (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL824471 0.73 ALDH1A1 (0.66) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 HDAC3 11/4885HDAC4 8/4885HDAC1 1/4885

“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.