Sugi Predict

Sugi Predict / Compounds / SCHEMBL21798307

SCHEMBL21798307

SCHEMBL21798307

CCOC(=O)C1(S(=O)(=O)C2(OC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ OPRM1 P35372 4/20 0.32
▸ OPRD1 P41143 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ SLC22A1 O15245 1/20 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
SCHEMBL13049339 0.76 CYP3A4 (0.40) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798037 0.76 CYP3A4 (0.40) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25347684 0.73 NPSR1 (0.36) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798404 0.72 CYP3A4 (0.34) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3515327 0.70 CYP3A4 (0.37) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798203 0.70 KMT2A (0.39) NPSR1CYP1A2ALDH1A1KMT2ALMNA
SCHEMBL21798122 0.69 NPSR1 (0.41) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798283 0.69 CYP3A4 (0.36) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798204 0.68 ALDH1A1 (0.36) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21798273 0.68 KDM4E (0.36) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19

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 6 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
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 NPSR1 3715/4885CYP3A4 79/4885CYP2D6 103/4885
US-11072610-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP NPSR1 3715/4885CYP3A4 79/4885CYP2D6 103/4885
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP NPSR1 3715/4885CYP3A4 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.