SCHEMBL21798263

SCHEMBL21798263

COC(=O)CS(=O)(=O)N1CC(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
TSHR P16473 3/20 0.32
S1PR1 P21453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL21798284 0.76 TSHR (0.38) CA12CA14TSHRHSD17B10GAA
SCHEMBL17557750 0.71 CNR1 (0.36) CA12CA14TSHRS1PR1HSD17B10
SCHEMBL6433710 0.69 L3MBTL1 (0.51) TSHRGAA
SCHEMBL17557666 0.69 CYP3A4 (0.40) TSHRHSD17B10GAA
SCHEMBL21987295 0.68 ALDH1A1 (0.48) TSHRHSD17B10GAA
Hydrochloric Acid SCHEMBL17557631 0.68 CYP3A4 (0.40) TSHRHSD17B10GAA
SCHEMBL19201201 0.67 NCF1 (0.39) TSHRHSD17B10GAA
SCHEMBL21798131 0.67 NPSR1 (0.46)
Hydrochloric Acid SCHEMBL19183246 0.66 CYP3A4 (0.38) TSHRHSD17B10GAA
SCHEMBL625888 0.65

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 8 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-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-02-16 US disclosed
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-02-16 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 (4 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 KCNQ3 694/4885KCNQ2 531/4885CA12 4253/4885
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP KCNQ3 694/4885KCNQ2 531/4885CA12 4253/4885
US-11072610-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP KCNQ3 694/4885KCNQ2 531/4885CA12 4253/4885
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP KCNQ3 694/4885KCNQ2 531/4885CA12 4253/4885

“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.