SCHEMBL4880366

SCHEMBL4880366

COc1ccc(N(C)C(=O)c2ccc(C(=O)CSC(C)=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.74
HDAC4 P56524 16/20 0.74
HDAC1 Q13547 16/20 0.74
HDAC7 Q8WUI4 16/20 0.74
HDAC2 Q92769 16/20 0.74
HDAC10 Q969S8 16/20 0.74
HDAC11 Q96DB2 16/20 0.74
HDAC8 Q9BY41 16/20 0.74
HDAC6 Q9UBN7 16/20 0.74
HDAC9 Q9UKV0 16/20 0.74
HDAC5 Q9UQL6 16/20 0.74
MCHR1 Q99705 2/20 0.51
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49

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
SCHEMBL4883728 0.85 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6806574 0.83 HSD17B1 (0.65) MCHR1HSD17B1HSD17B2
SCHEMBL4880423 0.82 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4090142 0.80 HSD17B1 (0.58) MCHR1HSD17B1HSD17B2
SCHEMBL7376311 0.79 HSD17B1 (0.57) MCHR1HSD17B1HSD17B2
SCHEMBL4881186 0.77 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5582735 0.77 CA1 (0.67) MCHR1HSD17B1HSD17B2
SCHEMBL4883456 0.77 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5582630 0.76 MCHR1 (0.56) MCHR1HSD17B1HSD17B2
SCHEMBL17213443 0.76 HPGD (0.62) MCHR1HSD17B1HSD17B2

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.