SCHEMBL12467633

SCHEMBL12467633

O=C(NS(=O)(=O)C1CC1)C1C/C=C\CCCCCCC(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 15/20 0.39
▸ PSMB8 P28062 6/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ PSMB5 P28074 2/20 0.34
▸ NTSR1 P30989 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
SCHEMBL12820226 0.83 XIAP (0.35) HDAC6HDAC1NTSR1
SCHEMBL15849570 0.82 PSMB9 (0.36) PSMB9PSMB8HDAC6HDAC3HDAC1
SCHEMBL12468425 0.82 PSMB9 (0.34) PSMB9PSMB8HDAC6HDAC3HDAC1
SCHEMBL12468417 0.82 PSMB9 (0.36) PSMB9PSMB8HDAC6HDAC3HDAC1
SCHEMBL12467641 0.82 PSMB9 (0.36) PSMB9PSMB8HDAC6HDAC3HDAC1
SCHEMBL16938906 0.81 HDAC1 (0.36) HDAC6HDAC3HDAC1NTSR1
SCHEMBL12468519 0.80 PSMB9 (0.34) PSMB9PSMB8HDAC6HDAC3HDAC1
SCHEMBL4304535 0.77 PSMB9 (0.41) PSMB9PSMB8
SCHEMBL7914476 0.75 CTSB (0.41) PSMB9PSMB8
SCHEMBL15509452 0.75 CTSB (0.41) PSMB9PSMB8

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-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 — — 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN PSMB9 434/4885PSMB8 271/4885HDAC6 885/4885

“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.

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