SCHEMBL16338945

SCHEMBL16338945

CC(C)(C)OC(=O)N[C@@H](CCCCCBr)C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.67
▸ HDAC1 Q13547 5/20 0.67
▸ HDAC8 Q9BY41 4/20 0.65
▸ HDAC3 O15379 3/20 0.65
▸ HDAC7 Q8WUI4 3/20 0.65
▸ HDAC2 Q92769 3/20 0.65
▸ HDAC10 Q969S8 3/20 0.65
▸ HDAC11 Q96DB2 3/20 0.65
▸ HDAC6 Q9UBN7 3/20 0.65
▸ HDAC9 Q9UKV0 3/20 0.65
▸ HDAC5 Q9UQL6 3/20 0.65
▸ SIRT5 Q9NXA8 1/20 0.54
▸ SIRT1 Q96EB6 6/20 0.51
▸ JAK3 P52333 1/20 0.50
▸ BTK Q06187 1/20 0.50
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ SIRT2 Q8IXJ6 8/20 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
SCHEMBL14254911 0.89 HDAC4 (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL26436622 0.87 HDAC4 (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL23454631 0.87 HDAC4 (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL30861281 0.87 HDAC4 (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2925561 0.86 HDAC4 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL3503798 0.85 HDAC1 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL3503092 0.85 HDAC1 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL14821450 0.84 HDAC4 (0.63) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL3763472 0.84 HDAC4 (0.61) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL27613652 0.84 HDAC4 (0.61) HDAC4HDAC1HDAC8HDAC3HDAC7

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
EP-2758371-B1 NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2016-06-15 — — EP disclosed
EP-2758371-B1 NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2016-06-15 — — EP disclosed
US-8927533-B2 Thio derivatives bearing lactams as potent HDAC inhibitors and their uses as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-01-06 — — US disclosed
US-8927533-B2 Thio derivatives bearing lactams as potent HDAC inhibitors and their uses as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-01-06 — — US disclosed
US-20140200205-A1 NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS ALFASIGMA S.P.A. (IT) 2014-07-17 — — 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-20140200205-A1 NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS HDAC1, HDAC5, HDAC11 HDAC4 6/4885HDAC1 1/4885HDAC8 10/4885

“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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