SCHEMBL968952

SCHEMBL968952

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
SIRT2 Q8IXJ6 10/20 0.55
SIRT1 Q96EB6 10/20 0.55
SIRT5 Q9NXA8 3/20 0.55
SIRT3 Q9NTG7 4/20 0.55
MEF2D Q14814 1/20 0.54
MGLL Q99685 1/20 0.53
TGM2 P21980 1/20 0.53

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
SCHEMBL22034402 0.87 SIRT5 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL22034400 0.87 SIRT5 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL17742350 0.87 SIRT2 (0.69) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL968954 0.85 MGLL (0.48) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29360756 0.83 MGLL (0.51) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL8130735 0.82 SIRT5 (0.58) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL12606012 0.82 SIRT2 (0.53) SIRT2SIRT1SIRT5SIRT3TGM2
SCHEMBL963655 0.81 SIRT2 (0.56) SIRT2SIRT1SIRT5SIRT3MGLL
Trifluoroacetic Acid SCHEMBL7316577 0.81 SIRT1 (0.57) SIRT2SIRT1SIRT5SIRT3
Trifluoroacetic Acid SCHEMBL9324388 0.81 SIRT1 (0.57) SIRT2SIRT1SIRT5SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US claimed

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR HDAC4 980/4885HDAC3 648/4885HDAC1 665/4885

“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.