SCHEMBL13864720

SCHEMBL13864720

CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 12/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HDAC8 Q9BY41 11/20 0.51
▸ HDAC1 Q13547 9/20 0.51
▸ HDAC6 Q9UBN7 9/20 0.51
▸ HDAC3 O15379 8/20 0.51
▸ HDAC11 Q96DB2 7/20 0.51
▸ HDAC10 Q969S8 6/20 0.51
▸ HDAC4 P56524 5/20 0.51
▸ HDAC7 Q8WUI4 5/20 0.51
▸ HDAC9 Q9UKV0 5/20 0.51
▸ HDAC5 Q9UQL6 5/20 0.51
▸ NCOR2 Q9Y618 3/20 0.50
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ MMP14 P50281 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL27681824 0.93 HDAC8 (0.55) HDAC2ALDH1A1MAPTHDAC8HDAC1
SCHEMBL13864693 0.90 HDAC2 (0.64) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13864797 0.89 ALDH1A1 (0.58) HDAC2ALDH1A1HDAC8HDAC1HDAC6
SCHEMBL13864784 0.89 MMP9 (0.61) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13864752 0.88 HDAC2 (0.59) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13864744 0.87 HDAC2 (0.58) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13864811 0.87 HDAC2 (0.58) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13864751 0.86 HDAC2 (0.62) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13867750 0.85 HDAC2 (0.56) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL8270013 0.84 HDAC2 (0.55) HDAC2HDAC8HDAC1HDAC6HDAC3

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 HDAC2 4/4885ALDH1A1 1195/4885MAPT 1382/4885

“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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