SCHEMBL12468417

SCHEMBL12468417

C[C@H]1/C=C\CCCCCCCC(=O)N2CCC[C@H]2C(=O)NC1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 15/20 0.36
▸ PSMB8 P28062 5/20 0.35
▸ CYP2C9 P11712 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL12467641 1.00 PSMB9 (0.36) PSMB9PSMB8CYP2C9PSMB5MAPT
SCHEMBL15849570 1.00 PSMB9 (0.36) PSMB9PSMB8CYP2C9PSMB5MAPT
SCHEMBL12468425 0.89 PSMB9 (0.34) PSMB9PSMB8HDAC3HDAC1HDAC6
SCHEMBL12468519 0.87 PSMB9 (0.34) PSMB9PSMB8PSMB5HDAC3HDAC1
SCHEMBL12820532 0.85 MEN1 (0.36) HDAC1HDAC6
SCHEMBL12472216 0.83 PSMB9 (0.37) PSMB9PSMB8CYP2C9MAPTCYP2C19
SCHEMBL12467633 0.82 PSMB9 (0.39) PSMB9PSMB8PSMB5HDAC3HDAC1
SCHEMBL8352101 0.81 F2 (0.33) HDAC1HDAC6
SCHEMBL12468475 0.79 PSMB9 (0.34) PSMB9PSMB8PSMB5MAPT
SCHEMBL7953237 0.79 PSMB9 (0.35) PSMB9PSMB8CYP2C9MAPTCYP2C19

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 271/4885CYP2C9 1079/4885

“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.

Send feedback