Sugi Predict

Sugi Predict / Compounds / SCHEMBL8269145

SCHEMBL8269145

SCHEMBL8269145

O=C(CCCCC[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.62
▸ HDAC8 Q9BY41 3/20 0.61
▸ HDAC3 O15379 2/20 0.61
▸ HDAC4 P56524 2/20 0.61
▸ HDAC7 Q8WUI4 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ HDAC10 Q969S8 2/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ HDAC6 Q9UBN7 2/20 0.61
▸ HDAC9 Q9UKV0 2/20 0.61
▸ HDAC5 Q9UQL6 2/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61
▸ SIRT2 Q8IXJ6 10/20 0.59
▸ SIRT1 Q96EB6 9/20 0.59
▸ SIRT5 Q9NXA8 2/20 0.57
▸ SIRT3 Q9NTG7 4/20 0.57

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
SCHEMBL3504493 1.00 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4837460 0.90 HDAC1 (0.74) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4837475 0.90 HDAC1 (0.74) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8269683 0.83 HDAC2 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL4838789 0.82 SIRT5 (0.76) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14254942 0.81 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8312589 0.78 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL13928112 0.78 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL13864824 0.78 HDAC2 (0.55) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5557063 0.77 SIRT2 (0.53) HDAC1HDAC8HDAC3HDAC4HDAC7

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-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-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-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
WO-2006026260-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-03-09 — — 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-20090118291-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC8 7/4885HDAC3 4/4885

“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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