SCHEMBL2895497

SCHEMBL2895497

COC(=O)C(CCCCCC(=O)Nc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.54
▸ HDAC4 P56524 9/20 0.54
▸ HDAC8 Q9BY41 13/20 0.52
▸ HDAC6 Q9UBN7 11/20 0.52
▸ HDAC3 O15379 10/20 0.52
▸ HDAC2 Q92769 9/20 0.52
▸ HDAC7 Q8WUI4 8/20 0.52
▸ HDAC11 Q96DB2 8/20 0.52
▸ HDAC9 Q9UKV0 8/20 0.52
▸ HDAC5 Q9UQL6 8/20 0.52
▸ HDAC10 Q969S8 7/20 0.52
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL25181350 0.91 KLK5 (0.50) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL23834107 0.91 KLK5 (0.50) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL20255053 0.87 LTA4H (0.51) HDAC1HDAC4HDAC8MAPTALDH1A1
SCHEMBL3503092 0.83 HDAC1 (0.64) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL3503798 0.83 HDAC1 (0.64) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL20253488 0.83 LTA4H (0.55) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL14254911 0.82 HDAC4 (0.65) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL23176824 0.81 CTSK (0.58) HDAC1HDAC4
SCHEMBL31407356 0.81 ACE (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL5129671 0.81 CTSK (0.47) HDAC1HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795304-B2 such as S)-[6-Hydroxycarbamoyl-1-(4-phenyl-thiazol-2-ylcarbamoyl)-hexyl]-carbamic acid benzyl ester, useful in the prevention and/or treatment cancer, restenosis, autoimmune diseases, allergies, inflammatory diseases, nervous system disorders such as neurodegenerative diseases MERCK SHARP & DOHME CORP. (US) 2010-09-14 — — US disclosed
US-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20080033015-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-02-07 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — US disclosed
EP-1784386-A4 HISTONE DEACETYLASE INHIBITORS MERCK & CO INC (US) 2007-11-28 — — EP disclosed
EP-1784194-A1 HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2007-05-16 — — EP disclosed
EP-1784386-A2 HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2007-05-16 — — EP disclosed
EP-1773761-A1 HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2007-04-18 — — EP disclosed
WO-2006026260-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-03-09 — — WO disclosed
WO-2006017215-A2 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-02-16 — — WO disclosed
WO-2006017216-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-02-16 — — 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 (3 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-20090118291-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC4 5/4885HDAC8 7/4885
US-20080015216-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC4 7/4885HDAC8 6/4885
US-20080033015-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC4 4/4885HDAC8 6/4885

“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.

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