SCHEMBL4560209

SCHEMBL4560209

CC(C)C(CCC(=O)Nc1ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc1)(NC(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HDAC1 Q13547 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 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
SCHEMBL403691 0.79 MEN1 (0.50) HDAC1ALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL14400765 0.78 TP53 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL404645 0.78 HDAC3 (0.44) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL1109227 0.78 PTPN1 (0.44) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL4560210 0.76 SIRT1 (0.42) ADAM17HDAC1HDAC6HDAC3HDAC4
SCHEMBL1912101 0.76 MEN1 (0.47) HDAC1ALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL1109233 0.76 PTPN1 (0.42) ADAM17ALDH1A1SMN1; SMN2POLBPPARG
SCHEMBL13818548 0.76 TRPV1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL402952 0.75 CA1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL404429 0.75 NPC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7

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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADAM17 1862/4885ITGB3 3792/4885ITGA2B 3821/4885

“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.