SCHEMBL13864791

SCHEMBL13864791

O=C(CCCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.61
▸ HDAC1 Q13547 13/20 0.61
▸ HDAC2 Q92769 11/20 0.61
▸ HDAC9 Q9UKV0 10/20 0.61
▸ HDAC3 O15379 10/20 0.61
▸ HDAC10 Q969S8 10/20 0.61
▸ HDAC8 Q9BY41 10/20 0.61
▸ HDAC4 P56524 9/20 0.61
▸ HDAC7 Q8WUI4 9/20 0.61
▸ HDAC11 Q96DB2 9/20 0.61
▸ HDAC5 Q9UQL6 9/20 0.61
▸ MAPK1 P28482 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52

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
SCHEMBL13864836 0.94 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864842 0.94 HDAC6 (0.66) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864829 0.92 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864783 0.92 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13867595 0.90 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864809 0.89 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864838 0.89 HDAC1 (0.58) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864839 0.89 HDAC1 (0.60) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864785 0.85 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC9HDAC3
SCHEMBL13864756 0.84 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC9HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — US 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-20080015216-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 HDAC6 5/4885HDAC1 1/4885HDAC2 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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