SCHEMBL6297600

SCHEMBL6297600

CC(C)C(=O)CCc1ccc(F)cc1C(C)(C)O[SiH2]C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ HTR2A P28223 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ P2RX7 Q99572 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
SCHEMBL6296567 0.83 NPSR1 (0.34) —
SCHEMBL6296234 0.77 — —
SCHEMBL6296393 0.75 — —
SCHEMBL6303746 0.74 SLC6A4 (0.32) SLC6A4SLC6A2
SCHEMBL6297700 0.73 — —
SCHEMBL6296413 0.73 MAOB (0.47) RIPK1HTR2AIDO1FFAR4
SCHEMBL6297619 0.72 NR3C2 (0.44) FFAR4P2RX7
SCHEMBL6296406 0.72 FFAR1 (0.38) RIPK1SLC6A4FFAR4
SCHEMBL6303806 0.71 — —
SCHEMBL6297613 0.71 FFAR1 (0.37) SLC6A4FFAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 — — US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 — — US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 — — US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 — — 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 (2 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD RIPK1 293/4885SLC6A4 3154/4885SLC6A2 4182/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD RIPK1 290/4885SLC6A4 3136/4885SLC6A2 4238/4885

“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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