SCHEMBL12468475

SCHEMBL12468475

C[C@H]1/C=C\CCCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@]1(I)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 12/20 0.34
▸ PSMB8 P28062 5/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CTSB P07858 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ PSMB5 P28074 1/20 0.30

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
SCHEMBL12472519 0.85 PSMB9 (0.35) PSMB9PSMB8ALOX15HSD17B10KDM4E
SCHEMBL15509451 0.83 CTSB (0.41) PSMB9PSMB8CTSB
SCHEMBL8249221 0.83 CTSB (0.41) PSMB9PSMB8CTSB
SCHEMBL7914476 0.83 CTSB (0.41) PSMB9PSMB8CTSB
SCHEMBL15509452 0.83 CTSB (0.41) PSMB9PSMB8CTSB
SCHEMBL15509453 0.83 CTSB (0.41) PSMB9PSMB8CTSB
SCHEMBL15849570 0.79 PSMB9 (0.36) PSMB9PSMB8MAPTPSMB5
SCHEMBL12468417 0.79 PSMB9 (0.36) PSMB9PSMB8MAPTPSMB5
SCHEMBL12467641 0.79 PSMB9 (0.36) PSMB9PSMB8MAPTPSMB5
SCHEMBL12468425 0.76 PSMB9 (0.34) PSMB9PSMB8SCN5ASCN9A

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 271/4885ALOX15 2287/4885

“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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