SCHEMBL330520

SCHEMBL330520

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)CC[Si](C)(C)C)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.37
HDAC1 Q13547 4/20 0.37
CYP3A4 P08684 1/20 0.34
HDAC4 P56524 1/20 0.32
ITGB3 P05106 8/20 0.31
ITGA2B P08514 8/20 0.31
TGM2 P21980 1/20 0.31

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
SCHEMBL330519 1.00 HDAC8 (0.37) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL9907301 0.91 HDAC1 (0.33) HDAC8HDAC1CYP3A4HDAC4
SCHEMBL3674630 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL13610589 0.86 HDAC1 (0.37) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL17676680 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL15747003 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL1943013 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL10254350 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL13783718 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3
SCHEMBL8026867 0.86 HDAC1 (0.39) HDAC8HDAC1CYP3A4HDAC4ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 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 (5 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HDAC8 2090/4885HDAC1 1041/4885CYP3A4 281/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HDAC8 2090/4885HDAC1 1041/4885CYP3A4 281/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HDAC8 2090/4885HDAC1 1041/4885CYP3A4 281/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 HDAC8 2090/4885HDAC1 1041/4885CYP3A4 281/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HDAC8 2090/4885HDAC1 1041/4885CYP3A4 281/4885

“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.