SCHEMBL70584

SCHEMBL70584

CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N(C)Cc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N(C)[C@@H](CC)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.60
HDAC3 O15379 16/20 0.60
HDAC2 Q92769 14/20 0.60
HDAC4 P56524 6/20 0.60
HDAC6 Q9UBN7 6/20 0.60
NCOR2 Q9Y618 5/20 0.60
HDAC10 Q969S8 5/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC9 Q9UKV0 3/20 0.60
UBA1 P22314 1/20 0.60
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL70561 0.86 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL18495065 0.80 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL19872998 0.79 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL71365 0.79 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL10314975 0.78 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL10314995 0.78 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL7943765 0.78 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL19114158 0.77 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL22810232 0.77 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL15171313 0.77 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HDAC1 157/4885HDAC3 79/4885HDAC2 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.