SCHEMBL9907299

SCHEMBL9907299

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MMP2 P08253 7/20 0.33
MMP9 P14780 3/20 0.33
ITGB3 P05106 9/20 0.33
ITGA2B P08514 9/20 0.33
TGM2 P21980 1/20 0.33
ANPEP P15144 2/20 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
SCHEMBL9907290 0.93 ITGB3 (0.34) HDAC1HDAC8HDAC4HDAC6MMP2
SCHEMBL9907285 0.90 MMP2 (0.31) MMP2ANPEP
SCHEMBL9907300 0.84 ANPEP (0.42) MMP2ANPEP
SCHEMBL9907301 0.83 HDAC1 (0.33) HDAC1HDAC8HDAC4
SCHEMBL3970331 0.81 HDAC1 (0.39) HDAC1HDAC8HDAC4HDAC6MMP2
SCHEMBL3970332 0.81 HDAC1 (0.39) HDAC1HDAC8HDAC4HDAC6MMP2
SCHEMBL9907280 0.80 MMP2 (0.30) MMP2ANPEP
SCHEMBL2610958 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC4HDAC6MMP2
SCHEMBL8320214 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC4HDAC6MMP2
SCHEMBL8026939 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC4HDAC6MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC HDAC1 1450/4885HDAC8 2469/4885HDAC4 3119/4885

“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.