SCHEMBL4053595

SCHEMBL4053595

CS(=O)(=O)OCc1ccc(-c2cncnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.39
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
EPHB4 P54760 3/20 0.37
TEK Q02763 3/20 0.37
KDR P35968 2/20 0.37
AKT1 P31749 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM5 P08912 1/20 0.35
PTGS2 P35354 1/20 0.34
GBA1 P04062 1/20 0.34
UGCG Q16739 1/20 0.34
GBA2 Q9HCG7 1/20 0.34

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
SCHEMBL19845815 0.86 CA2 (0.52) CA2CA9CA1AKT1PTGS2
SCHEMBL3250839 0.82 KDM4E (0.34) CA2CA9CA1CYP3A4CYP2D6
SCHEMBL4952656 0.80 CA2 (0.58) CA2CA9CA1AKT1CYP3A4
SCHEMBL6279539 0.79 UCHL1 (0.46) CA2CA9CA1AKT1PTGS2
SCHEMBL6286312 0.79 IDO1 (0.52) CA2CA9CA1AKT1
SCHEMBL14125769 0.79 CA2 (0.61) CA2CA9CA1AKT1PTGS2
SCHEMBL12595665 0.78 AKT1 (0.42) CA2CA9CA1TLR7AKT1
SCHEMBL13555326 0.77 ATM (0.45) GRM2ATMHDAC3HDAC1HDAC2
SCHEMBL6287114 0.76 CA2 (0.46) CA2CA9CA1PTGS2
SCHEMBL15305933 0.75 TP53 (0.46) CA2CA9CA1TLR7AKT1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
CN-108347942-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2021-09-03 CN disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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 (5 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 GRM2 2381/4885CA2 4687/4885CA9 4664/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 GRM2 2381/4885CA2 4687/4885CA9 4664/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS GRM2 2945/4885CA2 4707/4885CA9 4574/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 GRM2 4192/4885CA2 1373/4885CA9 974/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 GRM2 2381/4885CA2 4687/4885CA9 4664/4885

“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.