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SCHEMBL13610590

SCHEMBL13610590

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.40
▸ ITGA2B P08514 11/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC4 P56524 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TGM2 P21980 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ ACE P12821 1/20 0.35

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
SCHEMBL17387696 0.92 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL1942138 0.92 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL8036990 0.92 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL2610961 0.92 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL10254636 0.92 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL1942135 0.92 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL12401298 0.87 ITGB3 (0.38) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL13811751 0.85 HDAC8 (0.51) ITGB3ITGA2BHDAC1HDAC8CTSS
SCHEMBL8225015 0.84 ACE (0.49) ITGB3ITGA2BHDAC1HDAC8HDAC4
SCHEMBL8273133 0.83 HDAC1 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ITGB3 3148/4885ITGA2B 2783/4885HDAC1 1041/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ITGB3 3148/4885ITGA2B 2783/4885HDAC1 1041/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ITGB3 3148/4885ITGA2B 2783/4885HDAC1 1041/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ITGB3 3148/4885ITGA2B 2783/4885HDAC1 1041/4885

“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.