SCHEMBL71351

SCHEMBL71351

CSCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 19/20 0.90
▸ HDAC1 Q13547 19/20 0.90
▸ HDAC2 Q92769 18/20 0.90
▸ HDAC6 Q9UBN7 15/20 0.90
▸ HDAC10 Q969S8 7/20 0.90
▸ HDAC11 Q96DB2 3/20 0.90
▸ HDAC8 Q9BY41 12/20 0.85
▸ NCOR2 Q9Y618 9/20 0.85
▸ HDAC4 P56524 2/20 0.78
▸ UBA1 P22314 1/20 0.78
▸ HDAC9 Q9UKV0 1/20 0.78
▸ HDAC7 Q8WUI4 1/20 0.64

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
SCHEMBL16203381 1.00 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL12651856 0.92 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL12611184 0.92 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL15827286 0.92 HDAC1 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL12651646 0.92 HDAC1 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL8035633 0.92 HDAC1 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL71678 0.92 HDAC1 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC10
Largazole Thiol SCHEMBL15827016 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL10315069 0.91 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL21586611 0.91 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 — — US disclosed
US-8357708-B2 Macrocyclic compounds and methods of treatment University of Florida Resesarch Foundation, Inc. (US) 2013-01-22 — — US disclosed
US-8357708-B2 Macrocyclic compounds and methods of treatment University of Florida Resesarch Foundation, Inc. (US) 2013-01-22 — — US disclosed
US-20120095065-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 — — US disclosed
US-20120095065-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 — — US disclosed
US-8129418-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-03-06 — — US disclosed
US-8129418-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-03-06 — — 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-20120095065-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, MYC HDAC3 79/4885HDAC1 157/4885HDAC2 525/4885

“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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