SCHEMBL12468463

SCHEMBL12468463

O=C1NC2C(=O)N(S(=O)(=O)C3CC3)C2/C=C\CCCCCCC(=O)N2CCC[C@@H]12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 7/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ PSMB8 P28062 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
SCHEMBL12467655 1.00 PSMB9 (0.32) PSMB9SMN1; SMN2HDAC4HDAC1OPRM1
SCHEMBL15849711 0.87 HDAC4 (0.34) SMN1; SMN2HDAC4HDAC1
SCHEMBL12468517 0.75 PSMB9 (0.31) PSMB9PSMB8
SCHEMBL12468440 0.75 PSMB9 (0.31) PSMB9PSMB8
SCHEMBL12468450 0.75 ALDH1A1 (0.32) SMN1; SMN2
SCHEMBL16258958 0.74 OPRM1 (0.34) PSMB9SMN1; SMN2HDAC4HDAC1OPRM1
SCHEMBL15849570 0.71 PSMB9 (0.36) PSMB9HDAC1PSMB8
SCHEMBL12468417 0.71 PSMB9 (0.36) PSMB9HDAC1PSMB8
SCHEMBL12468425 0.71 PSMB9 (0.34) PSMB9HDAC4HDAC1PSMB8
SCHEMBL12467641 0.71 PSMB9 (0.36) PSMB9HDAC1PSMB8

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 434/4885SMN1; SMN2 4263/4885HDAC4 2174/4885

“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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