SCHEMBL13864784

SCHEMBL13864784

O=C(CCCCC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 8/20 0.61
▸ MMP2 P08253 7/20 0.61
▸ MMP14 P50281 3/20 0.61
▸ MMP8 P22894 2/20 0.61
▸ MMP12 P39900 1/20 0.61
▸ HDAC2 Q92769 7/20 0.60
▸ HDAC1 Q13547 7/20 0.58
▸ HDAC6 Q9UBN7 6/20 0.58
▸ HDAC11 Q96DB2 5/20 0.58
▸ HDAC8 Q9BY41 5/20 0.58
▸ HDAC3 O15379 4/20 0.58
▸ HDAC10 Q969S8 4/20 0.58
▸ HDAC4 P56524 3/20 0.58
▸ HDAC7 Q8WUI4 3/20 0.58
▸ HDAC9 Q9UKV0 3/20 0.58
▸ HDAC5 Q9UQL6 3/20 0.58
▸ MMP13 P45452 1/20 0.55
▸ ADAMTS4 O75173 1/20 0.55
▸ NCOR2 Q9Y618 3/20 0.54
▸ MMP1 P03956 2/20 0.54

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
SCHEMBL13864693 0.94 HDAC2 (0.64) MMP9MMP2MMP14MMP8MMP12
SCHEMBL13864752 0.92 HDAC2 (0.59) MMP9MMP2MMP14MMP8MMP12
SCHEMBL27662300 0.92 MMP9 (0.67) MMP9MMP2MMP14MMP8MMP12
SCHEMBL13864744 0.91 HDAC2 (0.58) MMP9MMP2MMP14MMP8MMP12
SCHEMBL13864797 0.91 ALDH1A1 (0.58) MMP9MMP2MMP14MMP8MMP12
SCHEMBL13864811 0.91 HDAC2 (0.58) MMP9MMP2MMP14MMP8MMP12
SCHEMBL13867750 0.89 HDAC2 (0.56) MMP9MMP2MMP14MMP8MMP12
SCHEMBL13864751 0.89 HDAC2 (0.62) HDAC2HDAC1HDAC6HDAC11HDAC8
SCHEMBL13864720 0.89 HDAC2 (0.55) MMP9MMP2MMP14MMP8MMP12
SCHEMBL8270013 0.89 HDAC2 (0.55) MMP9MMP2MMP14MMP8MMP12

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 MMP9 296/4885MMP2 633/4885MMP14 185/4885

“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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