SCHEMBL14595129

SCHEMBL14595129

CC(C)C(=O)CC(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC5 Q9UQL6 2/20 0.38
FOLH1 Q04609 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ENO1 P06733 1/20 0.35
ECE1 P42892 3/20 0.34
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL10447703 0.79 HDAC2 (0.50) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL181668 0.78 CYP2D6 (0.36) CA2MMP2MMP9MMP8
SCHEMBL6812644 0.78 LMNA (0.39)
SCHEMBL8909886 0.76 MEN1 (0.45) CA2MMP2MMP9MMP8
SCHEMBL6812643 0.76
SCHEMBL14595133 0.76 CTSD (0.44) KDM4EKDM5CPHF8KDM2ACA2
SCHEMBL28680358 0.76 CYP2D6 (0.35) CA2MMP2MMP9MMP8
SCHEMBL9282807 0.76 CYP2D6 (0.35) CA2MMP2MMP9MMP8
SCHEMBL28708081 0.76 CYP2D6 (0.35) CA2MMP2MMP9MMP8
SCHEMBL29035568 0.76 CYP2D6 (0.35) CA2MMP2MMP9MMP8

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-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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 (3 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS HDAC8 1398/4885HDAC6 1552/4885HDAC3 2747/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR HDAC8 2138/4885HDAC6 2390/4885HDAC3 857/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS HDAC8 1398/4885HDAC6 1552/4885HDAC3 2747/4885

“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.