SCHEMBL14930010

SCHEMBL14930010

COC(=O)[C@H](COC(C)(C)C)NCc1cccc(NC(=O)CC(=O)NO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL14930013 0.84 CA12 (0.49) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL14930009 0.84 BIRC2 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1491465 0.82 HDAC1 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1491469 0.82 HDAC1 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL14930011 0.82 RAB9A (0.46) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1491669 0.81 HDAC1 (0.55) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1491674 0.81 HDAC1 (0.55) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1491533 0.78 HDAC1 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1491535 0.78 HDAC1 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2490265 0.78 ATM (0.50) KMT2AMEN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC8 9/4885HDAC3 7/4885HDAC4 10/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC8 29/4885HDAC3 3/4885HDAC4 27/4885

“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.