SCHEMBL2543519

SCHEMBL2543519

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(SCC=C)(c2ccc(-c3ccccc3)cc2)CC1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC4 P56524 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TGM2 P21980 1/20 0.34
KLK5 Q9Y337 1/20 0.34
REN P00797 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL2537724 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL2537720 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1937063 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL2543521 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL2537722 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL2539654 0.99 HDAC1 (0.37) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1936790 0.99 HDAC1 (0.37) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL2539656 0.99 HDAC1 (0.37) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1490123 0.92 HDAC1 (0.36) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1490122 0.92 HDAC1 (0.36) HDAC1HDAC8HDAC4HDAC3HDAC7

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
EP-2331553-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-08 EP disclosed
US-8044087-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20100081700-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100081700-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL HDAC1 1626/4885HDAC8 2044/4885HDAC4 2946/4885

“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.