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SCHEMBL21798306

SCHEMBL21798306

CCOC(=O)C1(S(=O)(=O)CC2(C(F)(F)F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL23675612 0.82 SCN9A (0.31) —
SCHEMBL21798037 0.78 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL21798283 0.78 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL23675613 0.77 LMNA (0.46) SMN1; SMN2LMNA
SCHEMBL3515327 0.76 CYP3A4 (0.37) TP53CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798137 0.74 KMT2A (0.36) TP53HTTNPSR1ALDH1A1KMT2A
SCHEMBL21798234 0.73 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL21797988 0.73 ATM (0.34) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL13049339 0.71 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL21798328 0.71 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466821-B2 Antiviral pyridopyrazinedione compounds NOVARTIS AG (CH) 2025-11-11 — — US disclosed
US-11072610-B2 Antiviral pyridopyrazinedione compounds NOVARTIS AG (CH) 2021-07-27 — — US disclosed
US-11072610-B2 Antiviral pyridopyrazinedione compounds NOVARTIS AG (CH) 2021-07-27 — — US disclosed
EP-3849979-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS Novartis AG (CH) 2021-07-21 — — EP disclosed
CN-112996789-A Antiviral pyridopyrazinedione compounds 诺华股份有限公司 2021-06-18 — — CN disclosed
WO-2020053654-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS AG (CH) 2020-03-19 — — WO disclosed
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS AG (CH) 2020-03-12 — — 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 (3 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-12466821-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP TP53 1455/4885CYP3A4 79/4885CYP2D6 103/4885
US-11072610-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP TP53 1455/4885CYP3A4 79/4885CYP2D6 103/4885
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP TP53 1455/4885CYP3A4 79/4885CYP2D6 103/4885

“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.