SCHEMBL12472216

SCHEMBL12472216

C[C@H]1/C=C\CCCCCCC(=O)N2CCC[C@H]2C(=O)NC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 12/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PSMB8 P28062 5/20 0.36
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL7953237 0.86 PSMB9 (0.35) PSMB9CYP2C9CYP2C19MAPTPSMB8
SCHEMBL12468417 0.83 PSMB9 (0.36) PSMB9CYP2C9CYP2C19MAPTPSMB8
SCHEMBL12467641 0.83 PSMB9 (0.36) PSMB9CYP2C9CYP2C19MAPTPSMB8
SCHEMBL15849570 0.83 PSMB9 (0.36) PSMB9CYP2C9CYP2C19MAPTPSMB8
SCHEMBL4304535 0.80 PSMB9 (0.41) PSMB9PSMB8
SCHEMBL12472519 0.77 PSMB9 (0.35) PSMB9CYP2C19MAPTPSMB8HDAC4
SCHEMBL16258958 0.76 OPRM1 (0.34) PSMB9MAPTPSMB8HDAC4HDAC1
SCHEMBL12468425 0.74 PSMB9 (0.34) PSMB9PSMB8HDAC4HDAC1
SCHEMBL8247428 0.73 PSMB9 (0.34) PSMB9MAPTPSMB8
SCHEMBL12468519 0.72 PSMB9 (0.34) PSMB9PSMB8HDAC4HDAC1

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 434/4885CYP2C9 1079/4885CYP2C19 1179/4885

“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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