SCHEMBL71104

SCHEMBL71104

CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)C2=CCC(=N2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.70
HDAC1 Q13547 19/20 0.70
HDAC2 Q92769 18/20 0.70
HDAC6 Q9UBN7 16/20 0.70
HDAC8 Q9BY41 13/20 0.70
NCOR2 Q9Y618 8/20 0.70
HDAC10 Q969S8 5/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC7 Q8WUI4 1/20 0.70

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
SCHEMBL15827017 1.00 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12610955 0.93 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL15827018 0.91 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL18477565 0.90 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL15827014 0.89 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL18477572 0.87 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL19107097 0.87 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12702683 0.87 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL15827015 0.87 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL18477568 0.87 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC8

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
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-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-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-04-21 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 (2 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
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS MKI67, CCNC, PCNA HDAC3 713/4885HDAC1 548/4885HDAC2 1632/4885

“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.