SCHEMBL21798237

SCHEMBL21798237

CCOC(=O)CSCC1(C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 9/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.33
RAB9A P51151 1/20 0.32
MAPK1 P28482 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
SCHEMBL21798270 0.76 MGAM (0.40) CYP1A2CYP2C9CYP2C19HTTTP53
SCHEMBL31124647 0.75 CYP1A2 (0.40) CYP1A2TP53MGAMGAASI
SCHEMBL8544332 0.72 GAA (0.57) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL21798226 0.71 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19HTTTP53
SCHEMBL21798137 0.70 KMT2A (0.36) HTTTP53MGAMGAASI
SCHEMBL18554257 0.69 ALDH1A1 (0.37) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL21798001 0.69 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19HTTTP53
SCHEMBL1359006 0.68
SCHEMBL20841661 0.68 MGAM (0.52) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL30931707 0.68 TP53 (0.38) CYP1A2CYP2C9CYP2C19TP53MGAM

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 9 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
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 CYP1A2 357/4885CYP2C9 491/4885CYP2C19 70/4885
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP CYP1A2 357/4885CYP2C9 491/4885CYP2C19 70/4885
US-11072610-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP CYP1A2 357/4885CYP2C9 491/4885CYP2C19 70/4885
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP CYP1A2 357/4885CYP2C9 491/4885CYP2C19 70/4885

“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.